bluuebunny/crossref_metadata_2025 huggingface dataset:
Crystal structure of (E)-7-t-Butyl-5-methoxy-3-[(E)-2'-methoxy-5',5'-dimethyl-4'-oxohex-2'-enylidene]benzofuran-2(3H)-one
Authors: Hall SR , Raston CL , White AH
Published: September 2010

The crystal structure of (E)-7-t-butyl-5-methoxy-3-[(E)-2?-methoxy-
5?,5?-dimethyl-4?-oxohex-2?enylidene]benzofuran-2(3H)-one, C22H28O5
(see preceding paper), has been determined by single-crystal X-ray diffraction
at 295(1) K and refined by least squares to a residual of 0.067 (3735
?observed? reflections). Crystals are triclinic, Pī,
a 14.955(7), b 13.142(5), c 10.910(3) Ǻ, α 85.76(3), β 85.67(3),
γ 80.12(3)�, Z 4.
Crystal structure of (Z)-7-t-Butyl-5-methoxy-3-[(Z)-2'-methoxy-5',5'-dimethyl-4'-oxohex-2'-enylidene]benzofuran-2(3H)-one
Authors: Hall SR , Raston CL , White AH
Published: September 2010

The crystal structure of
the title compound, C22H28O5, has been
determined by single-crystal X-ray diffraction at 295 K and refined by least
squares to a residual of 0.075 (2101 ?observed? reflections). Crystals are
triclinic, Pī, a 13.789(4), b 11.461(4), c
7.027(3) Ǻ, α 81.70(3), β 107.18(2), γ 99.10(3)�, Z 2. The
structure is shown to be the Z,Z isomer, and its geometry is compared with that
of the E,E isomer reported previously.
The synthesis and thermolysis of imidazole quaternary salts
Authors: Chan BKM , Chang N , Grimmett MR
Published: September 2010

The pyrolysis of
imidazolium halides substituted on the nitrogen atoms by alkyl or aryl groups
leads to 1-substituted imidazoles. Differing substituents cleave at different
rates, while the nature of the anion and the influence of substituents at C4
modify the reaction products. Tetraphenylborate and perchlorate salts fail to
dealkylate. An SN2 (or SN2?) mechanism appears to be the
most likely for the process.
Pterins. I. Methylation of 6-methylpterin
Authors: Armarego WLF , Milloy BA
Published: September 2010

Methylation of
6-methylpterin in the presence of sodium hydroxide gave a c. 2 : 1 mixture of
3,6- and 1,6-dimethylpterin, In the absence of alkali, 6-methylpterin gave a c.
11 : 1 mixture of 6,8- and 1,6- dimethylpterin.
The reaction of tryptophan and derivatives with some 1,3-dicarbonyl compounds
Authors: Maclaren JA
Published: September 2010

Enamine methyl esters are
obtained by methylation of the condensation product from a 1,3-dicarbonyl
compound with L-tryptophan, or directly from methyl L-tryptophanate and the
1,3-dicarbonyl compound. Protonation of these enamines forms either methyl L-tryptophanate
or a tetrahydro-β-carboline derivative (two diastereomers in certain
cases), depending on the structure of the dicarbonyl compound. Enamines from
1,3-dicarbonyl compounds and tryptamine yield similar cyclic products on
protonation.
Crystal structure of Tris(N,N-diethyldithiocarbamato)chromium(III)
Authors: Raston CL , White AH
Published: September 2010

The crystal structure of
the title compound [Cr(CS2NEt2)3] has been
determined at 295 K from X-ray diffractometer data and refined by least squares
to a residual of 0.069 (3190 ?observed? reflections). Crystals are monoclinic,
P21/n, a = 14.308(4), b = 10.389(4), c = 17.145(8) Ǻ, β =
110.92(3)�, Z = 4, and are isostructural with the ruthenium and iron(III) (room
temperature) analogues.  is 2.396 Ǻ.
Exciton fission and annihilation in crystalline tetracene
Authors: Fleming GR , Millar DP , Morris GC , Morris JM , Robinson GW
Published: September 2010

The time-resolved
fluorescence of tetracene crystals excited by a single 7-ps pulse of 530-nm
light has been measured with a streak camera/OMA system. The singlet exciton
lifetime was found to be 300�30 ps at 293 K.
Singlet-singlet exciton annihilation was observed, and the rate constant found
to be 5 x 10-9 cm3 s-1. In order to fit the
observed decay curves, an upper limit of c. 1 x 10-9 cm3
s-1 must be set on the singlet-triplet exciton annihilation rate.
The measured singlet-singlet exciton annihilation rate is consistent with a
hopping model for singlet exciton motion at room temperature.
The crystal and molecular structure of the platinum(0) complex, [CH3C(CH2PPh2)3]2Pt
Authors: March FC , Mason R , Scollary GR
Published: September 2010

An X-ray analysis of single
crystals of bis[1,1,1- tris(diphenylphosphinomethyl)ethane]platinum(O) is
described. The crystals are triclinic, space group Aī, a 15.018(5), b
25.937(9), c 22.722(8) Ǻ; α 104.16(2)�, β 115.80(2)�, γ
88.65(2)�, Z4. ��� The diffraction data (Mo Kα; automatic
diffractometry) have provided all atomic positions (with the exception of
hydrogen atoms) and the scattering model has been refined by least-squares
methods to R 0.084 (4774 independent reflections). The platinum has a distorted
tetrahedral stereochemistry (with mean Pt-P 2.287 Ǻ), only four of the six
phosphorus ligand atoms being coordinated. This stereochemistry is preserved in
solution. A discussion of the metal-phosphorus bond in low-valent metal
complexes is provided, it being concluded that π- bonding effects on bond
lengths have been overemphasized in the past.
Synthesis and electron spin resonance study of a tetradentate copper(II) mercaptobenzaldimine complex
Authors: Corrigan MF , Murray KS , West BO , Pilbrow JR
Published: September 2010

The X-band e.s.r, spectrum
of a copper(II) Schiff-base complex, 2,2?- [ethylenebis(nitrilomethylidyne)]-bis(benzenethiolato-S,N)copper(II) (Cu(mben)),
has been determined in frozen toluene-chloroform solutions. The complicated
line shape has been simulated by a computer program incorporating symmetry
around the copper lower than axial, together with a nitrogen hyperfine pattern
calculated for two cis nitrogen atoms. The e.s.r parameters are compared with
those obtained for two other thio Schiff-base chelates
and with those for the salicylaldimine analogue, Cu(salen). Metal-ligand
covalency parameters estimated from the e.s.r. parameters are discussed
briefly.
Crystal structure of Bromo(tetraphenylporphyrin)iron(III)
Authors: Skelton BW , White AH
Published: September 2010

The crystal structure of bromo(tetraphenylporphyrin)iron(III), BrFe{C20N4H8(C6H5)4},
has been determined at 295 K by X-ray diffraction and refined by least squares
to a residual of 0.052 (2689 ?observed? reflections). Crystals are monoclinic,
P21/c, a 10.191(2), b 16.121(5), c 23.223(4) Ǻ, β
115.34(1)�, Z 4. The iron atom lies out of the N4 plane of the
porphyrin ligand by 0.49 Ǻ,  being 2.069 Ǻ;
the apex of the five-coordinate square-pyramidal coordination sphere about the
iron is occupied by the bromine [Fe-Br 2.348(2) Ǻ].
Lewis-acid-catalysed oxygenation of 1,1'-bicyclohexenyl and α-terpinene. Reactions in dichloromethane and liquid sulphur dioxide
Authors: Haynes RK
Published: September 2010

1,1'-Bicyclohexenyl and
α-terpinene are converted into the corresponding cyclic peroxides in the
presence of oxygen and Lewis acids in dichloromethane. In liquid sulphur
dioxide under oxygen, the . major product from 1,1'-bicyclohexenyl in the
presence of SnCl4, SbF5, and SbCl5, is the
corresponding cyclic sulphone, whereas the cyclic peroxide is almost
exclusively formed in this medium with MoCl5, WCl6 and
VOCl3. Under the same conditions, α-terpinene is quantitatively
oxygenated in a dark reaction, in the absence of added Lewis acids. In a 1 : 1
dichloromethane-sulphur dioxide medium, ergosteryl acetate requires irradiation
for conversion into the corresponding peroxide. Mechanistic interpretations of
these observations are presented.
Structure and synthesis of some lichen xanthones
Authors: Elix JA , Musidlak HW , Sala T , Sargent MV
Published: September 2010

The xanthones
1-hydroxy-3,6-dimethoxy-(2), 2,4-dichloro-1,3-dihydroxy- 6-methoxy-(6),
2-chloro-1,3-dihydroxy-6-methoxy- (7), 4-chloro-1,3- dihydroxy-6-methoxy- (8)
and 2-chloro-1-hydroxy-3,6-dimethoxy-8-methyl-9H-xanthen-9-one (11) were
isolated from the lichen Pertusaria sulphurata Mull. Arg. The
unambiguous synthesis of compounds (6), (7), (8), (11) and some other chloroxanthones, and the chlorination of 1,3- dihydroxy-6-methoxy-8-methyl-9H-xanthen-9-one
(5), are described.
Crystal structures of (RS)-Di-μ-chloro-tetrakis(ethane-1,2-diamine)nickel(II) dichloride and diperchlorate
Authors: Bottomley GA , Glossop LG , Raston CL , White AH , Willis AC
Published: September 2010

The crystal structures of
[(en)2NiCl2Ni(en)2] Cl2 (1) and
[(en)2NiCl2Ni(en)2] (ClO4)2
(2) have been redetermined from single- crystal X-ray diffraction data at
295(1) K and refined by least squares to residuals of 0.073 and 0.052
respectively for 1345 and 1605 'observed' reflections respectively. Crystals of
(1) are monoclinic, P21/n, a 14.053(4), b 11.309(3), c 6.326(1)
Ǻ, β 94.22(2)�, Z 2. Crystals of (2) are monoclinic, P21/n,
a 8.885(12), 6 19.707(20), c 7.120(8) Ǻ, β 108.99(4)�, Z 2. In both
(1) and (2), a dimeric complex cation is observed, a pair of cis coordination
sites about the nickel in each case being occupied by the bridging chlorines;
the latter are asymmetric (Ni-Cl, 2.461(3),
2.551(3)(1); 2.461(3), 2.512(3) Ǻ (2)).
Derivatives of mycophenolic acid
Authors: Carman RM
Published: September 2010

Derivatives of mycophenolic
acid and of mycochromenic acid are reported. These compounds include a
relatively stable tertiary iodide.
Simple pyrimidines. XVII. The effect of 4'(6')-substituents on the ionization of 2-(Pyrimidin-2'-yl)acetic acid
Authors: Brown DJ , Waring P
Published: September 2010

The synthesis of a series
of 4'-mono- and 4',6'-di-substituted derivatives of 2-(pyrimidin-2'-yl)acetic
acid (1a) and the corresponding methyl esters is described. When allowance is
made for the proportion of zwitterion present, the modified anionic pKa
values of the monosubstituted acids show a reasonable correlation with an
almost equal blend of the substituent parameters σI and σR+.
The disubstituted acids show no such discernible correlation.
Crystal structure of Bis(2,6-diacetylpyridine dihydrazone)cobalt(II) diiodide monohydrate
Authors: Figgis BN , Kucharski ES , White AH
Published: September 2010

The crystal structure of
the title compound, [Co(C9H13N5)2]
I2,H2O, has been determined by single-crystal X-ray
diffraction at 295 K and refined by least squares to a residual of 0.058 for
3255 'observed' reflections. Crystals are triclinic, Pī,
a 14.934(5), b 11.315(4), c 8.090(3)Ǻ, α 85.19(3), β 87.76(3),
γ 74.10(3)°, Z 2. The distances from the cobalt to the central trimethine
nitrogen atoms are 1.893(8) and 1.903(8)Ǻ consistent with the almost
low-spin behaviour of the complex; the distal Co-N distances range between
2.045(8) and 2.140(8)Ǻ. One of the iodide anions appears to be disordered
over two sites populated in the ratio 0.86:0.14; occupancy of the second site
together with the magnetic moment of 2.1 BM may indicate a small proportion of
the high-spin isomer.
Preparation of N-(Pyrrol-1-yl)maleimide and 5-(Pyrrol-1-ylimino)furan-2(5H)-one: Crystal structure of 2-(Pyrrol-1-yl)-4,7-dihydro-4,7-epoxyisoindole-1,3(7aH,3aH)-dione
Authors: Diakiw V , Raston CL , Stewart M , White AH
Published: September 2010

The synthesis and some
properties of N-(pyrrol-1-yl)maleimide (1) and its isomer (6) are described. The
structure of 2-(pyrrol-1-yl)-4,7- dihydro-4,7-epoxyisoindole-1,3(7aH,3aH)-dione
(8), a key intermediate in the synthesis of (1), has been determined by single-crystal
X-ray diffraction at 298 K, and refined by least squares to a residual of 0.046
for 1977 'observed' reflections. Crystals are triclinic, Pī,
a 8.472(5), b 10.130(6), c 12.760(8) Ǻ, α 91.12(5), p 92.09(5),
γ 102.90(4)°, Z 4.
The vapour pressure of supercooled water and heavy water
Authors: Bottomley GA
Published: September 2010

Measurements have been made
on H2O and on D2O of the difference in vapour pressure
between the solid and the supercooled liquid down to
some 14° below their respective triple-point temperatures.
Electron impact studies. CXXII. A comparison of reactivities and decompositions of benzoate anions and cations
Authors: Bowie JH , White PY
Published: September 2010

The benzoate anion reacts
with acetic anhydride to yield an intermediate which decomposes by loss of
ketene with accompanying proton transfer. The proton transfer is involved in
the rate- determining step of the elimination reaction. The abundance of the product
ion in the reaction of RC6H4CO2-
with acetic anhydride increases as the electron-donating properties of R
increase. ��� Collision-induced charge stripping of the
ions RC6H4CO2- yields the
corresponding cations which fragment primarily by elimination of CO2
(or O+CO). Fragmentation through the carboxyl centre precedes the fragmentation
of R (e.g. when R = Me, MeO, Cl or Br).
Methyleneketenes and methylenecarbenes. XIII. Cycloaddition of ketenes and of a 1-pyrroline 1-oxide to isopropylideneketene
Authors: Baxter GJ , Brown RFC , Eastwood FW , Gatehouse BM , Nesbit MC
Published: September 2010

Isopropylideneketene
(3-methylbuta-1,2-dien-1-one), Me2C=C=C=O, reacts with ketene and
substituted ketenes to give oxetanones or cyclobutane-1,3-diones formed by
[2+2] cycloadditions involving the central C=C bond of the methyleneketene. By
contrast Me2C=C=C=O reacts with 5,5- dimethylpyrroline
1-oxide to give a spirooxazolidinone (13) and an oxetanone (17), both of which
appear to be formed by initial cycloaddition of the pyrroline 1-oxide to the
terminal C=C bond of the methyleneketene and formation of an intermediate
bicyclic ketene (15). The structure of the oxetanone (17) has been confirmed
and its stereochemistry established by X-ray crystallography.
Diterpene chemistry. VIII. Synthesis of perfumery compounds from Labda-8(17),14-dien-13-ol (Manool)
Authors: Grant PK , Lai CK
Published: September 2010

Hydroxymethylation of 14,15-dinorlabd-8(17)-en-13-one (3) has led to
the synthesis of a new series of intramolecular acetals related to known
perfumery compounds. A novel oxidation of a saturated compound with selenium
dioxide/hydrogen peroxide is reported.
Diterpene chemistry. IX. Ozonolyses of Labda-8(17),14-dien-13-ol (manool) and its derivatives
Authors: Grant PK , Liau HTL
Published: September 2010

Reaction of manool and its
derivatives with ozone gave stable ozonides. The structure (6) of one of the
ozonides isolated is of striking similarity to the perfumery acetals (1) and
(2) derived from the potassium permanganate oxidation of manool (3). Another
compound 8β,13:8,14-diepoxy-15,17-dinorlabdan-14β-ol(7) was isolated
as the major ozonolysis product and is a precursor of the lactone perfume (10).
Aromatic amides. XI. 1,3-Phenylenediamines and their diacyl derivatives
Authors: Rae ID
Published: September 2010

In 4,6-disubstituted N,N'-(1,3-phenylene)bispivalamides,
the ring hydrogen between the two amide groups is deshielded by both and
consequently shows its 1H nuclear magnetic resonance at extremely
low field. Preferential stabilization of a particular amide configuration by
dipole-dipole interactions gives rise to differential shielding effects in
N,N'-(4-chloro-1,3-phenylene)bispivalamide and to strong deshielding of the
aromatic C5-H in N,N'-(2-methylthiopyrimidine-4,6-diyl)bispivalamide.
Asymmetric reduction of carbonyl compounds by yeast. IV. Preparation of optically active β-hydroxy sulfides, sulfoxides and sulfones
Authors: Crumbie RL , Deol BS , Nemorin JE , Ridley DD
Published: September 2010

Reduction of simple
β-keto sulfides, β-keto sulfoxides and P-keto sulfones by an actively
fermenting mutant of Saccharomyces cerevisiae proceeds readily and affords good
yields of the corresponding optically active secondary alcohols. For example,
1-(benzylthio)propan-2-one gave optically pure
(S)-(+)-1-(benzylthio)propan-2-ol and 1- (phenylsulfonyl)propan-2-one gave
optically pure (S)-(+)-1- (phenylsulfonyl)propan-2-ol. In the reductions of
racemic β-keto sulfoxides the enantiomers were reduced at sufficiently
different rates to enable isolation of an optically active ketone and of an
optically active β-hydroxy sulfoxide. Hence, 1-(phenylsulfinyl)propan-2-one
gave (S)-(-)-1-(phenyl-sulfinyl)propan-2-one and (RS,SC)-(+)-1-
(phenylsulfinyl)propan-2-ol.
Adsorption of oxamyl on montmorillonites
Authors: Singhal JP , Khan S , Bansal OP
Published: September 2010

The adsorption of oxamyl
under variable conditions of time, pH and exchangeable cations on
montmorillonites has been examined. Kinetic studies showed the reaction to be
first order, which indicates diffusion-controlled adsorption. All the evidence
obtained by studies of the effect of pH, adsorption isotherms, considerations
of the chemical structure of the molecule, and X-ray diffraction and infrared
spectroscopy points to a reaction mechanism for oxamyl association with acid-
and base-saturated montmorillonites which involves either protonation or
coordination of the exchangeable clay cations to the carbonyl of the amide
group.
The self-association of glycosyl phenylazo dyes (Yariv antigens)
Authors: Woods EF , Lilley GG , Jermyn MA
Published: September 2010

The aggregation of
tris(4-glycosyloxyphenylazo)phloroglucinol compounds (Yariv antigens) where
glyco = β-D-gluco, β-D-manno, β-D-galacto and α- D-galacto
has been investigated by equilibrium sedimentation, the photoelectric scanning
absorption optical system being utilized. The compounds have been shown to
undergo a strong self-association in water and an analysis procedure employing
Laplace transforms indicated a very wide distribution of species in the
ultracentrifuge cell at equilibrium. To determine the type of association the
concentration of monomer as a function of total weight concentration was
calculated by using the recently developed Ω function. When the
concentration of monomer is very low, as in the present case, the analysis is
difficult because very slight curvature in the Ω-function plot has a large
effect on the extrapolation to zero concentration. ��� The results are best described by an
isodesmic indefinite self- association. The β-glucoside Yariv antigen was
the most extensively investigated and the most highly purified sample was shown
to have an association constant of 2.5 x 107 l. mol-1.
The order of the association constants of the Yariv compounds was found to be
β-glucoside > β- galactoside > α-galactoside >
β-mannoside. For the β-glucoside compound an increase in temperature
favours species of lower molecular weight, and from the enthalpy change a
positive entropy change for the association is indicated. The compounds are
disaggregated by concentrated solutions of urea and guanidine hydrochloride.
Spectral measurements on the β-glucoside compound indicate disaggregation
by sodium dodecyl sulfate above the critical micelle concentration.
Nitrosyl cyanide and related aspects of the ONCN potential surface
Authors: Gowenlock BG , Radom L
Published: September 2010

Ab initio molecular orbital
calculations using the restricted Hartree-Fock approach have been carried out for nitrosyl cyanide
and related species on the ONCN potential surface. Full geometry optimizations
have been performed with the minimal STO-3G and split-valence 4-31G basis sets.
Calculated (4-31G) geometries are in good agreement with available experimental
data as are the energy changes in the reactions ONCN → NO + CN and NO +
CN → N2 + CO. Possible mechanisms are discussed.
N.M.R. studies on myelin basic protein. I. 13C spectra in aqueous solutions
Authors: Chapman BE , Moore WJ
Published: September 2010

Carbon-13 n.m.r, spectra
have been obtained for bovine myelin basic protein at pD
4.4 in D2O and in 6 M guanidine deuterochloride solutions.
Chemical-shift differences between resonances from some amino acid residues are
interpreted in terms of structured regions in the polypeptide chain of the
native protein, whereas the denatured protein displays the spectrum expected
for an essentially random coil. Measurements of T1 and n.O.e.
provide quantitative data on the dynamics of the backbone and side-chain carbons,
and give support to the conclusion that the native protein does not have a
random-coil structure.
Alkaloids of Daphnandra johnsonii
Authors: Bick IRC , Leow HM
Published: September 2010

Three new biscocla urine
alkaloids, johnsonine (1), N-methylapateline (12) and N-methylnorapateline (13),
have been isolated from the recently described species D. johnsonii.
This rare plant also contains the alkaloids repandinine (a), O-methylrepandine
(3), nortenuipine (6) and repandine (2), previously isolated from other
Daphnandra spp.
A simplified core pseudopotential model for use in valence-electron molecular SCF calculations
Authors: Nagy-Felsobuki E , Peel JB
Published: September 2010

A molecular
valence-electron-only model potential (VEOMP) method is proposed in which the
core-valence interpenetration term is replaced by an exponential screening
function and the core-valence orthogonality is represented by a pseudopotential
term in which the required parametrization is minimized without compromising
the effectiveness of the method. This model has been incorporated in the
GAUSSIAN 70 programs, and sample calculations, using the STO-3G and STO-6G
minimum basis sets, are reported for the orbital energies and equilibrium bond
lengths of the ground states of N2, PN and P2.
Synthetic Applications of Intramolecular Insertion in Arylcarbenes. III. Generation and Rearrangement of Aryloxycarbenes by Intramolecular Abstraction of Hydrogen
Authors: Crow WD , McNab H
Published: September 2010

o-Alkoxy- and o-alkylthio-phenylcarbenes, generated by low-pressure pyrolysis in
the gas phase, show abstraction of 2H
across space to generate the corresponding o-tolyl
vinyl ethers or sulfides. In the case of o-ethoxyphenylcarbene,
deuterium labelling shows that this is a case of vicinal abstraction, not
geminal abstraction followed by 1,2-hydride shift. o-Methoxyphenylcarbene, however, is similarly shown to undergo
geminal hydrogen abstraction leading to o-tolyloxycarbene,
which undergoes a 1,2-aryl shift to give o-tolualdehyde.
Independent generation of aryloxycarbenes has been achieved by pyrolysis of
5-aryloxy-2,2-dimethyl-l,3-dioxan- 4,6-diones. The product carbenes show the
expected rearrangement as well as normal insertion reactions.
Deviations from Raoult's Law in H2O + D2O Liquid Mixtures
Authors: Phutela RC , Fenby DV
Published: September 2010

Deviations from Raoult's law in H2O+D2O liquid
mixtures are calculated from vapour pressure isotope effects for HDO and D2O
by assuming that the equilibrium H2O+ HDO+D2O liquid
mixtures are ideal solutions. The results are in good agreement with those obtained
experimentally from liquid-mixture vapour pressure and boiling point
measurements.
Synthesis and Crystal Structure of(13R)-8α,13:13,17-Diepoxy-14,15-bisnorlabdan-17-one
Authors: Godfrey IM , Knox JR , Raston CL , White AH
Published: September 2010

The title compound, Cl8H28O3,
has been isolated from the oxidation of manool and its crystal structure
determined. Crystals are orthorhombic, P212121,
a 8.035(8), b 9.082(4), c 22.6O(l) �,
Z 4.
Crystal and Molecular Structure of the Minor Cyclo-Dimerization Product of 8,8-Dimethylisobenzofulvene
Authors: Gatehouse BM , Leverett P , Taylor D
Published: September 2010

8,8-Dimethylisobenzofulvene
undergoes spontaneous cyclo-dimerization to give a mixture of two isomers of
composition C24H24, The minor isomer crystallizes in the
orthorhombic space group Pbca
with a 16.815(8), b 16.975(8) and c 13.058(6)� pobs 1.13(3)g cm-3,
pealc 1.13 g cm-3 for Z 8. The structure was solved from
diffractometer data by direct methods and was refined by full-matrix least
squares to final residuals R 0.040, Rw
0.046 for 885 observed data. The stereochemistry of the minor dimer is
established, contrary to theoretical predictions, as the exo-isomer. There is evidence of
intramolecular steric strain particularly demonstrated by the elongated C-C
single bonds, 1.590(7) and 1.570(7) �, which are formed in the dimerization
process.
Measurement of Kerr Constants of Conducting Liquids
Authors: Beevers MS , Khanarian G
Published: September 2010

An apparatus is described
to measure the Kerr constant of conducting as well as non-conducting liquids
and solutions. High-voltage pulses of short duration (1.5 μs)
are applied across the Kerr cell and the resultant birefringence is measured by
a novel signal-nulling technique. New expressions are
derived for the null conditions for an optically active birefringent
medium. Results are presented at 633 nm and 293 K for water, methanol, ethanol,
propan-1-ol and propan-2-ol. The Kerr constant of water (3.0 × 10-14
m V-2) was in good agreement with recent determinations.
Purine Studies. XXI. Benzyl Group Translocations in 9-Benzylxanthine Derivatives
Authors: Lister JH
Published: September 2010

Transformation of
9-benzylxanthines into the 7-benzyl isomers occurs when these purines are heated in the presence of hydrobromic
acid or benzyl bromide in an aprotic solvent. Although 9-benzyl derivatives of xanthine, 1-methyl- and 1,3-dimethyl-xanthine have been
successfully isomerized in this way the reaction has
not been possible with 9-benzyl-3-methylxanthine due to failure to prepare this
purine. Steric effects arising from the proximity of
the 3-methyl group to the 9-benzyl group have been examined by 1H
N.M.R. and the resulting data correlated with structural configurations shown
to be possible by using space-filling models.
Crystal Structure of Tris(acetylacetonato)molybdenum(III)
Authors: Raston CL , White AH
Published: September 2010

The crystal structure of
the title compound, [MO(C5H7O2)3],
has been determined at 295(1) K by single-crystal X-ray diffraction methods and
refined by least squares to a residual of 0.040 for 2933 'observed'
reflections. Crystals are monoclinic, P21/n, a 16.515(4), b 13.052(4),
c 8.152(2) �, β 90.74(2)�, Z 4.
The structure comprises discrete molecules of the above complex, the molecular
point symmetry being a good approximation to D3, with (Mo-O) 2.07,�,
(intraligand) (O-M-O) 87.7�. The status of the structure is examined with
regard to the polymorphism of the symmetrical tris(acetylacetonato)metal(III)
complexes, and examined in regard to the anomalous magnetism reported in the
preceding paper.
Acid Effects in the Radiation-Induced Grafting of Styrene to Polypropylene
Authors: Garnett JL , Yen NT
Published: September 2010

The inclusion of mineral
acid, such as sulfuric, in certain monomer solutions, is shown to enhance the
radiation grafting of styrene in methanol to a representative polyolefin,
polypropylene. Thevariables affecting this
acid enhancement on grafting efficiency have been studied and include type of solvent,
concentration of monomer, presence of oxygen, radiation dose and dose rate and molarity of acid. The role of the solvent is particularly
important. Grafting yields in the alcohols have been compared with analogous
data obtained in other polar solvents such as dimethylformamide,
dimethyl sulfoxide, acetone and dioxan. The present
acid effects in radiation grafting to polypropylene are also compared with
corresponding results previously obtained for acid-enhanced radiation grafting to
the natural polymers, wool and cellulose. Extrapolation of the styrene acid
effect to the radiation grafting of other monomers such as methyl methacrylate
is considered.
The Synthesis of Methoxy- and Hydroxy-Substituted Cinnamaldehydes and Their Corresponding Epoxides. I. The Cinnamaldehydes
Authors: Olstein R , Stephenson EFM
Published: September 2010

4-Hydroxy-3,5-dimethoxycinnamaldehyde,
3,4,5-trimethoxycinnamaldehyde and 3,4-dimethoxy-cinnamaldehyde were
synthesized for biological testing. The Wittig synthesis of α, β-unsaturated
aldehydes, using formylmethylenetriphenylphosphorane, was developed as a
general method for the preparation of the required substituted cinnamaldehydes.
Thermodynamics of Deuterium Exchange Reactions in Water-Thiol and Alcohol-Thiol Systems
Authors: Khurma JR , Fenby DV
Published: September 2010

Thermodynamic properties at
298 K are obtained for the deuterium exchange reactions

RSH + SHD → O + RSD + H2O

RSH + DO2 → O + RSD + HDO

RSH + R?OD → O + RSD +
R?OH

Equilibrium constants and
enthalpies of the gas phase reactions with R = R' = CH3 are
calculated from statistical mechanical equations using recently published
harmonic frequencies. Experimental properties, including the molar excess
enthalpies of C2H5SH + CH3OH, C2H5SH
+ CH3OD, C2H5SH + C2H5OH
and C2H5SH + C2H5OD reported in
this paper, are used to obtain the equilibrium constants and enthalpies of the
liquid and gas phase reactions with R = C2H5, R' = CH3
and C2H5.
Preparation of anionic active ester derivatives of amino acids
Authors: Stewart FHC
Published: September 2010

Benzyloxycarbonyl amino acids were condensed with the
2,4,6-trimethylbenzyl esters of 4-hydroxy-3-nitro-benzoic and-phenylacetic acids to give crystalline protected active
esters, which could then beconverted into anionic
derivatives by either selective or complete removal of the protecting groups.Several anionic active
esters of aliphatic dicarboxylic acids were also
prepared similarly.
The Structure of Conorlobaridone and Conloxodin. New Depsidones from the Lichen Xanthoparmelia xanthosorediata
Authors: Begg WR , Chester DO , Elix JA
Published: September 2010

The depsidones,
conorlobaridone (4) and conloxodin (5), have been isolated from the lichen Xanthoparmelia xanthosorediata. The
structure of these compounds followed from a comparison of the spectroscopic
properties with those observed for the known cogenors, norlobaridone and
loxodin.
An Elementary Molecular Orbital Description of NO2 Dimerization to N2O4
Authors: Harcourt RD
Published: September 2010

Aspects of the 2NO2
+ N2O2 dimerization process are examined by constructing
a limited MO-CI wavefunction for the ten electrons
that are primarily responsible for the NN σ-bond properties in
valence-bond descriptions of the dimer. With essentially INDO-type assumptions,
this CI wavefunction has been parametrized
so that it reproduces almost exactly the experimental values for two ionization
potentials of the dimer, namely those which have been associated with
ionizations from the two molecular orbitals that
correlate with the odd-electron molecular orbital of NO2. The wavefunction is expressed as a linear combination of
configurations constructed from NO2 molecular orbitals.
The primary contribution to this linear combination is calculated to involve
two NO2 monomers in their ground states, with their delocalized
odd-electrons spin-paired in a Heitler-London sense.
Little contribution to the linear combination is calculated to arise from
either ionic NO2+NO2- or excited NO2NO2
configurations. For this parametrized wavefunction, the configuration interaction stabilizes the
S = 0 ground state relative to a low-lying S = 1 excited configuration.
Transition Metal Complexes of [2-{Di(m-tolyl)phosphino}ethyl]diphenylphosphine
Authors: Sadanani ND , Walia A , Kapoor PN , Kapoor RN
Published: September 2010

The 1 : 1 complexes of
chelating diphosphine, [2-{di(m-tolyl)phosphino}ethyl]diphenylphosphine (pmtpf), with
nickel(II), palladium(II) and platinum(II) halides and thiocyanates
and 2 : 1 complexes with nickel(II) perchlorates have
been prepared. Ligand (pmtpf) forms low-spin
square-planar and diamagnetic [M(pmtpf)X2](where
X = Cl, Br, I or NCS; M = Ni, Pd or Pt) and [Ni(pmtpf)2]- (ClO4)2
complexes. Complexes of metal carbonyls having the general formula [(pmtpf)M(CO)4] (where M = Cr, Mo or W) have also
been synthesized. These complexes have been characterized on the basis of
element analysis, electronic, infrared and 1H N.M.R. spectral
measurements, magnetic susceptibilities and electrical conductance data. In all
cases studied this ligand acts as a chelating ditertiary
phosphine.
A MINDO/3 Study of Nitrobenzene
Authors: Davis LP , Guidry RM
Published: September 2010

The MINDO/3 method
developed by Dewar and coworkers has been used to make molecular orbital calculations
on a number of conformations of nitrobenzene. Results indicate that, although
the nitro group geometry is well reproduced, the MINDO/3 method fails to correctly
predict the planar form of nitrobenzene in the gas phase. The effects of ring
asymmetry on the molecular orbital energies are also discussed.
Determination of the Mechanism of Substitution Reactions of Sterically Hindered Palladium(II) Complexes in Aqueous Solution by the Use of a Volume Profile*
Authors: Palmer DA , Kelm H
Published: September 2010

Pressure dependencies of
the nucleophile-independent rate constants were studied for the reactions of
[Pd(teden)X]n+ ions (where teden = N'-[2-(diethylamino)ethyl]-N,N-diethylethane-1,2-diamine and X = Cl-,
Br-, N3-, I-, SCN- and
NH3) with various nucleophiles, Y. The partial molar volumes of
these complexes were measured at 25�C. By combining these values with the
respective volumes of activation, volume profile diagrams were constructed from
which the reaction mechanism was determined to be of the interchange type, most
likely Ia.
For three representative reactions, in which X = Cl-
and Br-, and Y = N3- and SCN-, ΔV‡exp
values for the nucleophile-dependent path were also derived. The mechanism of
these reactions is also considered to be concerted.
Preparation and Properties of Surfactant Complexes of Ruthenium(II)
Authors: Johansen O , Kowala C , Mau AWH , Sasse WHF
Published: September 2010

New surfactant complexes RuM2L2+ have been prepared where M is 2,2'-bipyridyl or o-phenanthro-
line and L is one of the 4-alkyl-4'-methyl-2,2'-bipyridyls (8a)-(8e), or one of the 4,4'-dialkyl-2,2'-
bipyridyls (9a)-(9e), or 1,1'-(2,2'-bipyridyl-4,4'-diyl)bis(nonadecan-1-one). This diketone was pre-
pared from 2,2'-bipyridyl-4,4'-dicarboxylic acid and dioctadecylcadmium; the dialkylbipyridyls were
obtained by condensing 4,4'-dimethyl-2,2'-bipyridyl with 5-alkylthiopen-2-carbaldehydes, followed
by desulfurization with W5 Raney nickel. Several properties of the new complexes have been
compared with those of bis(2,Y-bipyridyl)(dioctadecyl 2,2'-bipyridyl-4,4'-dicarboxy1ate)ruthenium
dication (2).
Monolayers have been prepared and characterized by surface-pressure area curves; film com-
pressibilities and stabilities are related to the lengths of the alkyl chains and to subphase composition.
Absorption and emission spectra have been examined. The quantum yields and lifetimes of emission
are similar in alcohol and water; with monolayer assemblies they are dependent on subphase com-
position, and in the solid state they vary between 0.03-0.18 for Φ and 0.5-1.5 μs for τ, according to
the chain lengths, which appear to affect crystal packing.
Oxygen quenched the luminescence of solutions and supported monolayers reversibly; Stern-
Volmer constants and bimolecular quenching constants are given for: diester complex (2), diketone
complex (6), dialkylbipyridyl complexes (5). Except with (2) the original luminescence intensity was
restored by drying.
Hydrogen was not detected following irradiation with visible light of supported monolayers of
pure complexes immersed in water.
Solubility Data for Na2CO3 and K2CO3 Dissolved in Molten NaNO3/KNO3 Eutectic
Authors: Temple RB , Lockyer CJ
Published: September 2010

Relatively little is known
about the basic physical chemistry of even simple molten salt systems. This
communication reports data for the solubilities of Na2CO3
and K2CO3 in molten sodium nitrate/potassium nitrate
eutectic at temperatures between 520 and 620 K. Values of the Gibb's free energy,
enthalpy and entropy of solution have been calculated from these results.
Mass Spectrometric Studies. XIV. Nitrochalcones
Authors: Baldas J , Porter QN
Published: September 2010

The mass spectra of
chalcone, of its 2-, 2'-, 3-, 3'- and 4-nitro derivatives, and of a number of
deuterated analogues, are described. Fragmentation of the 2-nitro isomer is
very simple on account of anchimeric assistance to a carbon-carbon bond fission
from the nitro group. The 2'-nitro isomer shows complex fragmentation resulting
from oxygen transfer to the α,β-double bond. The 3-, 3'-, and 4-nitro
compounds fragment in ways similar to that of chalcone itself, except for
losses of hydroxy groups from their molecular ions. The origins of the
transferred hydrogen atoms are shown by labelling experiments, and structures
are suggested for the ions formed.
Studies of Australian Soft Corals. XV. The Structure of Pachyclavulariadiol, a Novel Furano-Diterpene from Pachyclavularia violacea
Authors: Bowden BF , Coll JC , Mitchell SJ , Raston CL , Stokie GJ , White AH
Published: September 2010

.Pachyclavulariadiol (3) and its naturally occurring mono-(4) and di-acetylated (5) derivatives have been isolated from the
soft coral Pachyclavularia violacea.
Their structures were deduced spectroscopically and confirmed by a
single-crystal X-ray diffraction study on the diol(3). Each compound is shown
to be a highly functionalized cembranoid diterpene with the isopropyl group
elaborated as a furan ring.
N.M.R. Studies of Myelin Basic Protein. III. Interactions of the Protein with Lipid Micelles by 1H and 31P N.M.R.
Authors: Littlemore LAT , Ledeen RW
Published: September 2010

The interactions of bovine
myelin basic protein with bovine brain GM1 ganglioside
and with lysophosphatidylcholine have been followed
by 1H and 31P N.M.R. The effect of the binding of lipid
on the protein spectrum could be followed in methyl peaks due to methionine and NG-methylarginine
and in peaks from aromatic side chains. Both lipids caused broadening of methyl
resonances from methionine-20, the unique NG-methylarginine
and phenylalanines. The N.M.R. spectral changes on
interaction of peptides derived from N-terminal and C-terminal halves of the
protein with lysolecithin indicated that the lipid
binding was associated with conformational changes involving the central
regions of the polypeptide chain and the methylarginine
residue. The 31P spectra suggest that the average phosphate group in lysophosphatidylcholine becomes more mobile as a result of
binding of basic protein to the lipid micelle.
Synthesis and N.M.R. Spectra of Substituted Aminoiodoacridines
Authors: Martin RF , Kelly DP
Published: September 2010

3-Amino-6-iodoacridine (10),
3,6-diiodoacridine (11) and 9-amino-2-ethoxy-6-iodoacridine (14) were prepared
by iodide ion substitution of the corresponding diazonium
salt whereas 3,6-diamino-4,5-diiodoacridine (12) and
6,9-diamino-2-ethoxy-5-iodoacridine (13) were prepared by direct iodination
with iodide ion in the presence of chloramine-T. The latter reaction proceeded
in relatively high yield and has been used for the synthesis of high specific
activity 125I-labelled compounds (12), (13). The 1H and 13C
N.M.R. spectra of (10)-(14) and model compounds indicate higher electron density
at C4(C5) than at C2(C7) in 3(6)-amino-substituted acridines
in agreement with the observed pattern of electrophilic substitution.
Substitution Reactions of Nitrothiophens. III. Radical and Ionic Reactions of 4- and 5-Nitro-2-thienyl-methyl and -ethyl Chlorides and Acetates
Authors: Newcombe PJ , Norris RK
Published: September 2010

The reactions of
4-nitro-2-thienyl-methyl and -ethyl chlorides and acetates with lithium
2-nitropropan-2-ide (1) give excellent yields of the C-alkylates,
2-(2-methyl-2-nitropropyl)- and 2-(1,2-dimethyl-2-nitropropyl)-4-nitrothiophen.
These reactions proceed by a novel ionic substitution process involving initial
nucleophilic attack on the thiophen ring. The 5-nitro derivatives react to give
complex mixtures of products, which arise from SRN1, SN2,
elimination, electron transfer and radical coupling processes. For example,
2-(1-chloroethyl)-5-nitrothiophen (23) reacts with the salt (1) under nitrogen
to give the C-alkylate,
2-(1,2-dimethyl-2-nitropropyl)-5-nitrothiophen (24), formedby an SRN1
reaction, the alkene, 2-(1,2-dimethylprop-1-enyl)-5-nitrothiopen
(25), derived from (24) by elimination of nitrous acid, 1-(5-nitro-2-thienyl)ethanone (26) and 1-(5-nitro-2-thienyl)ethanol(27) produced by SN2
O-alkylation, and 2,2'-(1,2-dimethylethene-1,2-diyl)bis(5-nitrothiophen) (28) formed
by electron transfer and radical coupling reactions.
Purine Analogues as Amplifiers of Phleomycin. V. Thioethers of Several Heterocyclic Systems with One or Two Rings
Authors: Brown DJ , Grigg GW , Iwai Y , McAndrew KN , Nagamatsu T , Heeswyck Rv
Published: September 2010

Thioethers, appropriate for
testing as amplifiers of phleomycin against in
vitro cultures of Escherichia coli,
are prepared via corresponding thiones in the purine, imidazo[4,5-b(and 4,5-c)]pyridine,
pyrazolo[3,4-d]pyrimidine, quinazoline, benzothiazole, benzoxazole, pyrimidine,
imidazole, thiazoline, 1,2,4-triazole, s-triazolo[4,3-c(and 1,5-c)]pyrimidine,
oxazolo[4,5-b]pyridine, quinoline and 1,3,5-triazine series. Structures are
confirmed by N.M.R. spectra. Biological activities are tabulated and discussed
in terms of structure.
Sucrose: An Assignment of the 13C N.M.R. Parameters by Selective Decoupling
Authors: Jones AJ , Hanisch P , McPhail AK
Published: September 2010

Comparative analysis of the
high-field 1H N.M.R. spectrum followed by selective 1H
decoupling experiments provides complete assignment for the 12 carbon-13
resonances observed in sucrose, especially C2, C5, C4' and C5'.
A New Phenol from the Brown Alga Perithalia caudata Containing a 'Reverse' Isoprene Unit at the 4-Position
Authors: Blackman AJ , Dragar C , Wells RJ
Published: September 2010

The lipid-soluble extract
of Perithalia caudata has
been shown to contain 4-(1'',1''-dimethylprop-2-enyl)-2-(3''-methylbut-2''-enyl)phenol
(1), which is the first example known of a naturally occurring phenol bearing a
reversed isoprene unit in the para position.
The chemistry of aryllead(IV) tricarboxylates. Reaction with β-keto esters: a convenient route to α-arylated ketones
Authors: Pinhey JT , Rowe BA
Published: September 2010

Ethyl
2-oxocyclopentanecarboxylate (1a) and p-methoxyphenyllead
triacetate (2a) react in chloroformcontaining
pyridine to give ethyl 1-(p-methoxyphenyl)-2-oxocyclopentanecarboxylate
(1b) in almost quantitative yield. This arylation
reaction of β-keto esters has been examined with
a variety of substrates and a number of aryllead triacetates and in all but one case in which the keto ester contained only one α-hydrogen the α-arylated β-keto ester was
obtained in excellent yield. With ethyl acetoacetate
both mono- and di-arylated products were obtained and
yields were somewhat lower.
The reaction between aluminium metal and aqueous solutions of the nitrite ion
Authors: Hyde PJ , Ritchie IM
Published: September 2010

The reaction between
aluminium metal and a 0.1 wt % solution of sodium nitrite at room temperature is
described. Initially the reaction is slow, but after an induction period the
aluminium corrodes catastrophically. The products of the reaction were identified
as ammonia, hydrogen and bayerite. A possible mechanism of the reaction is
suggested.
Conformational preference of the fluoromethyl group in some benzyl fluorides: a 13C N.M.R. study
Authors: Adcock W , Abeywickrema AN
Published: September 2010

A number of model benzyl
fluoride systems have been synthesized, and their proton-decoupled
natural-abundance 13C n.m.r. spectra recorded and assigned. An analysis of the
long-range five-bond coupling constants (5JCF) indicates
that these parameters are predominantly a manifestation of hyperconjugation
involving the CF σ bond. The utilization of these parameters as
conformational probes is demonstrated.
Infrared, structural and magnetic studies of solid solutions of potassium hexachlorometallates(IV) K2 [(Pt/M)Cl6] (M = Re, Os, Ir)
Authors: Fergusson JE , Greenaway AM
Published: September 2010

Three series of solid
solutions, K2[(Pt/M)Cl6] (M = Re, Os, Ir),
have been prepared and their infrared, structural and magnetic properties
investigated. The variation in the crystal cubic cell dimension correlates with
composition of the solid solutions. Correlations of the magnetic and vibrational data with the cell dimensions of the solids are
not statistically significant.
The chemistry of pyrrolic compounds. XLIII. Synthesis of the fifteen isomers of protoporphyrin
Authors: Clezy PS , Fookes CJR
Published: September 2010

Within the limitation that
porphyrin biogenesis involves the condensation of four porphobilinogen
molecules it is possible to generate fifteen isomers of protoporphyrin. All
these isomers have now been constructed by ring synthesis and some comparative
data obtained concerning their spectroscopic and chromatographic properties. It
has been possible to make reasonable assignments for the methine protons in
trifluoroacetic acid and chloroform for all the protoporphyrin isomers.
Studies on thiazolidin-4-ones. V. The mode of action of hydrazines on 5-arylmethylenethiazolidine-2,4-diones
Authors: Omar MT , Habashy MM , El-Khamry A
Published: September 2010

Hydrazine hydrate reacts
with 5-arylmethylenethiazolidine-2,4-diones (1a-c) to give mixtures of the
N-hydrazinocarbonyl-2- hydrazonopropanamides (3a-c)
and the 6-arylmethyl-3-hydrazino-1,2,4- triazin-5(2H)-ones (4a-c). The thiazolidinedione (1c) reacts with methylhydrazine to give
a semisolid from which it is possible to isolate the 2-methylhydrazone (3d).
Phenylhydrazine attacks(1a) to give a mixture of (4d) and
6-benzyl-2-phenyl-3-phenylazo-1,2,4-triazin- 5(2H)-one (5a).However, (1b) and
(1c) give mixtures of (3f) and 6-(4- methoxybenzyl)-2-phenyl-1,2,4-triazine-3,5(2H,4H)-dione
(6), and (3e) and (5b) respectively. N-Methyl-N-phenylhydrazine reacts with (1b)to
give 2-mercapto-3-(4-methoxyphenyl)-N-(N-methide(2).The structures of all of
these products are confirmed by analytical as well as spectral data, and the route
of these transformations is discussed.
Thermal cyclization experiments with benzoyl-DL-kynurenylglycine and related compounds
Authors: Rivett DE , Stewart HC
Published: September 2010

Thermal cyclization of
benzoyl-DL-kynurenylglycine to give a tricyclic 1,4-benzodiazepine derivative is
discussed. Proposed formation of an initial pyrrolinone intermediate in this
reaction has been supported by cyclization experiments with the analogous acyl
dipeptide benzoyl-DL-2- phenacylglycylglycine,which lacks the aromatic amino
group of kynurenine. The behaviour of some other related compounds is also
considered.
Cobalt(II), nickel(II) and copper(II) complexes of some o-hydroxycrotonophenones
Authors: Palaniandavar M , Natarajan C
Published: September 2010

Metal(II) complexes of the
type ML2,nB [M = CuII, NiII, CoII;
L = 2- hydroxy-5-X-crotonophenone where X = H, CH3, Cl; B = H2O, pyridine; n = 0, 1, 2] have been
obtained and investigated. With the help of element analyses, magnetic
measurements, ligand field and infrared spectra and thermal studies, the
structure and the nature of bonding have been established. The anhydrous
copper(II) chelates are monomeric and possess trans-square-planar configuration
while the corresponding cobalt(II) and nickel(II) compounds are polymeric and
possess high-spin trans-octahedral configuration. All the base adducts possess
high-spin trans-octahedral structure with lesser tendency toward dissociation
in solution. Infrared studies indicate that v(C=O) and v(M-O) are affected by
metal ion and phenyl substitutions and adduct formation. The order of
stabilities, namely Cu > Ni > Co, derived from v(M-O) parallels the
crystal field stabilization energies. Substitution in the phenyl ring of the complexes
produces shifts in v(M-O) which are related to the resonance capacities of the
substituents. ���
The relatively high ligand field strength
of o-hydroxycrotonophenone compared to salicylaldehyde is attributed to the conjugation of C=O
with C=C which lowers the energy of the π3* orbital leading to
extensive back-bonding with dπ orbitals of the metal.
The chlorination of some N,N-Dimethylanilines with 1,3,5-Trichloro-1,3,5-triazine-2,4,6(1H,3H,5H)-trione (Trichloroisocyanuric acid)
Authors: Rosevear J , Wilshire JFK
Published: September 2010

The reaction of some
representative N,N-dimethylanilines and of Fischer's
base (1,3,3-trimethyl-2-methyleneindoline) with trichloroisocyanuric
acid in concentrated sulfuric acid has been investigated. In many cases
mixtures of chlorinated products were obtained; these mixtures were examined
both by gas-liquid chromatography and by proton magnetic resonance
spectroscopy. The reaction of N,N-dimethylaniline
with dichloroisocyanuric acid was also studied. ���
A feature of these chlorinations is the
marked tendency for substitution to occur ortho to the dimethylamino group.
This behaviour therefore differs from that reported for the corresponding
brominations involving dibromoisocyanuric acid, where
meta-substitution was observed.