bluuebunny/crossref_metadata_2025 huggingface dataset:
Hypervalent Iodine in Synthesis 91: A Mild and Efficient Method for the Halogenation of 6-Methyluracil Derivatives
Authors: Cheng Dong Ping , Chen Zhen Chu , Zheng Qin Guo
Published: December 2009

The combined reagent of iodobenzene diacetate (or polymer-supported iodobenzene diacetate) with iodine or bromine was used as an effective halogenative agent of 6-methyluracil derivatives to the corresponding 5-halo-6-methyluracil derivatives at room temperature with high yields.
Nucleophilic Catalysis of Nitrosation: Relationship between Nitrosating Agent Equilibrium Constant and Catalyst Nucleophilicity
Authors: da Silva Gabriel , Kennedy Eric M. , Dlugogorski Bogdan Z.
Published: December 2009

Equilibrium constants for the formation of nitrosating agents from various nucleophiles and nitrous acid are predicted from Edwards’ nucleophilic parameter.
A Simple Oxidation of γ- and δ-Lactones to Oxocarboxylic Acids by Buffered Sodium Hypochlorite
Authors: D'Ambrosio Michele , Guerriero Antonio
Published: December 2009

An efficient synthetic procedure is described for the preparation of 4- and 5-oxocarboxylic acids by reaction of the corresponding lactones with commercial bleach
Polycyclic Aromatics from Veratrole and Ninhydrin and Acenaphthenequinone
Authors: Campbell Lynne A. , Morrison Brian J. , Musgrave Oliver C.
Published: December 2009

Treatment of 2,2-di(3,4-dimethoxyphenyl)indane-1,3-dione with concentrated sulfuric acid gives 2,3,6,7-tetramethoxydibenzo[a,c]fluoren-13-one while under the same conditions 2,2-di(3,4-dimethoxyphenyl)acenaph-thenone produces 2,3,6,7-tetramethoxydibenzo[j,l]fluoranthene.
Supramolecular Complex of C60 with Tetrakis(p-Iodophenyl)Ethylene
Authors: Tanaka Koichi , Caira Mino R.
Published: December 2009

When complexed with tetrakis(p-halophenyl)ethylene, the C60 molecule arranges to form chiral inclusion crystals.
Kinetics and Mechanism of the Cleavage of N-Phthaloylglycine in Buffers of Some Primary Amines
Authors: Khan M. Niyaz , Ismail Norsaadah H.
Published: December 2009

Kinetic studies on the nucleophilic cleavage of N-phthaloylglycine (NPG) in buffers of 2-methoxyethylamine, and 2-hydroxyethylamine reveal the relationship: knapp = A1 [Am]T/(1 + A2 [Am]T) where A1 and A2 are constants (kinetic parameters) and knapp and [Am]T represent apparent nucleophilic second-order rate constant and total amine buffer concentration, respectively.
Correlation Analysis of Reactivity in the Oxidation of Substituted Benzyl Alcohols by Hexamethylenetetramine-Bromine
Authors: Goyal Archana , Kothari Seema
Published: December 2009

Correlation analyses of the effect of substituents on the oxidation of benzyl alcohols by hexamethylenetetramine-bromine indicate the presence of a carbocationic centre in the transition state and steric acceleration of the reaction.
Hydrolysis of Benzothiazolylcarbamates in Basic Media
Authors: Norberto Fátima , Araújo M Eduarda M. , Herves Pablo , Ribeiro Lara
Published: December 2009

Secondary benzothiazolylcarbamates hydrolyse in basic media by an E1cB mechanism, while the corresponding tertiary carbamate hydrolyse by a general base BAc2 mechanism
Efficient and Low Cost Synthesis of the 2-(Tert-Butyldiphenylsilyloxymethyl)Benzoyl Chloride for the Protection of Nucleobases
Authors: Guerlavais-Dagland Typhaine , Meyer Albert , Morvan François
Published: December 2009

The title compound was easily obtained starting from cheap phthalide in four steps with an overall yield of 67%.
Synthetic Approaches towards [1]Benzopyrano [4,3-b]Thieno[2,3-e]Pyridines via Intramolecular Diels-Alder Reactions of 1,2,4-Triazines
Authors: Ibrahim Yehia A. , Al-Saleh Balkis
Published: December 2009

Efficient syntheses are reported of [1]benzopyrano[4,3-b]thieno[2,3-e]pyridines (20), by the application of an intramolecular Diels–Alder reaction employing the intermediate appropriately designed functionalised thieno [3,2-e][1,2,4]triazines.
Formation of 1,3,4-Oxadiazoles by Cyclisation of Acetoacetanilide Acylhydrazones under Mild Conditions
Authors: Dzvinchuk Igor B. , Kartashov Sergey A. , Lozinskii Myron O. , Rusanov Eduard B. , Chernega Alexander N.
Published: December 2009

Selective and efficient cyclisation of acetoacetanilide acylhydrazones into previously inaccessible 3-acetyl-2-anilinocarbonylmethyl-2,3-dihydro-2-methyl-1,3,4-oxadiazoles was achieved in acetic anhydride by use of acid catalysis at 40–50°C.
Cyclisation of N-alkyl-2,4-Dinitro-6-Trifluoromethylanilines
Authors: Szczecinski Przemyslaw , Bartusik Dorota
Published: December 2009

Examples of cyclisation of the title compounds leading to 2-alkyl substituted benzimidazole N-oxides are reported.
Reactions of Ketonic Mannich Bases with Malononitrile and Malononitrile dimer
Authors: Hammouda M. , El-Ahl A.S. , El-Toukhee Y.M. , Metwally M.A.
Published: December 2009

The reaction of malononitrile with the tertiary Mannich base hydrochloride derived from acetophenone and some related compounds 1, 3, 5 and 7, in piperidine at 50°C afforded the pyrido[1,2-a]pyrimidine derivatives 2, tetrahydronaphthalene derivative 4 substituted quinolines 6 and benzopyran derivatives 8. While the condensation of malononitrile dimer with acetophenone, cyclohexanone and/ or α-tetralone Mannich bases hydrochloride 1, 3 and 9 gave the pyridine, isoquinoline and benzo[f]isoquinoline derivatives 10–12 in moderate to good yield.
Medium-Sized Cyclophanes. Part 59.1 Preparation and Acetylation of Some 9-Substituted [3.3]Metaparacyclophanes
Authors: Yamato Takehiko , Noda Kozo , Tanaka Kan
Published: December 2009

The acetylation of 6-tert-butyl-9-methyl- (1b) and 6-tert-butyl-9-methoxy[3.3]metaparacyclophane 1c with 1.1 equiv. of acetyl chloride in CH2Cl2 solution in the presence of AlCl3 MeNO2 afforded 6-tert-butyl-17-acetyl-9-methyl- (2b) and 6-tert-butyl-14-acetyl-9-methoxy[3.3]metaparacyclophane (3c) in 22% and 88% yields, respectively; different orientation for the electrophilic substitution was observed depending on the substituent at C(9) position.
Chemistry and Tautomerism of Coupling Products of Diazotised Sulfamethoxazole with some Compounds Containing an Active Methylene Group
Authors: Hassan Saber M. , Emam Hussein A. , Habib Mohamed A.
Published: December 2009

Azo compounds (2–5) bearing a sulfamethoxazole moiety were prepared. The action of hydrazinecarbodithioate derivatives on (2–4) afforded pyrazoledithiocarboxylates (8–10).
Samarium Diiodide Induced Reductive Cleavage of the Se–Se Bond in Diselenides: A Novel Synthesis of 3-Substituted-Imidazolidine-2-One-1-Carbonyl Selenoesters
Authors: Su Weike , Gao Ning , Zhang Yongmin
Published: December 2009

The reduction of diselenides by samarium diiodide led to samarium selenolates (RSeSmI2). These species reacted with 3-substituted-1-chlorocarbonyl-imidazolidin-2-ones to give the corresponding selenoesters in good yields under mild and neutral conditions.
Synthesis of 1-(6-Methyl-2,4-Dioxo-1,2,3,4-Tetrahydro-3-Pyrimidinyl)Acetyl-4-Alkyl(Aryl)Thiosemicarbazides and their Heterocyclisation to 1,2,4-Triazoles and 1,3,4-Thiadiazoles
Authors: Smicius Romualdas , Jakubkiene Virginija , Burbuliene Milda M. , Mikalainyte Aiste , Vainilavicius Povilas
Published: December 2009

5-(6-Methyl-2,4-dioxo-1,2,3,4-tetrahydro-3-pyrimidinyl)methyl-1,3,4-oxadiazole-2-thione reacts with amines to give 1-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-3-pyrimidinyl)acetyl-4-alkyl(aryl)thiosemicarbazides, which on treatment with base or acid undergo cyclisation to 4-alkyl-1,2,4-triazole-2-thiones or 4-amino-1,3,4-thiadiazoles, respectively.
Efficient Conversion of Oxiranes to Thiiranes with Ammonium Thiocyanate Catalysed with LiBF4
Authors: Kazemi F. , Kiasat A.R. , Ebrahimi S.
Published: December 2009

Oxiranes are efficiently converted into the corresponding thiiranes by ammonium thiocyanate in the presence of catalytic amounts of LiBF4 in excellent yields under mild and non-aqueous conditions
A New Isoprenylated Chalcone, Artoindonesianin J, from the Root and Tree Bark of Artocarpus Bracteata
Authors: Ersam Taslim , Achmad Sjamsul A. , Ghisalberti Emilio L. , Hakim Euis H. , Makmur Lukman , Syah Yana M.
Published: December 2009

A new prenylated chalcone artoindonesianin J, the structure of which was determined on the basis of spectroscopic evidence, was isolated from the root and tree bark of Artocarpus bracteata Hook, together with three known flavonoids, kanzonol, 6-(3-methylbut-2-enyl)-apigenin and carpachromene.
A Stereoselective Route to (E)-Vinylstannanes by Cross-Coupling Reaction of Stannyl-Vinyldialkylboranes with Alkylating Agents
Authors: Yang De-Yu , He Jun , Miao Sheug
Published: December 2009

Stereoselective cross-coupling of (E)-stannylvinyldialkylboranes with alkylating agents in the presence of NaOMe and [CuBr (SMe2)] is accomplished.
Synthesis of Cluster Derivatives Containing the Nirumos Core
Authors: Bian Zhi-Guo , Zhang Yu-Hua , Hu Bin , Zhang Wei-Qiang , Zhu Bao-Hua , Yin Yuan-Qi , Sun Jie
Published: December 2009

The new clusters [NiRuMo(CO)5(μ3-S)(η5 –C5H5)(η5 –C5H4R)](R = H 3 or COCH3 4) were isolated from the reaction of [CoRuMo(CO)8(μ3-S) (η5 –C5H4R)](R = H 1 or COCH3 2) with NiCp2, and the structure of cluster 4 has been established by single crystal X-ray diffraction method.
Synthesis and Reactions of Benzotriazolyl-Substituted Spiro[Cyclohexane-1,2′-2′H-Imidazo[4,5-b]Pyridine]
Authors: Le Huu Phuoc , Neidlein Richard , Suschitzky Hans
Published: December 2009

The introduction of N and S-nucleophiles into the 2H-4-azabenzimidazole system using the 1H-benzotriazole ring as a synthetic auxiliary, and also the syntheses of novel pentacyclic ring systems by application of the Graebe-Ullmann method, are described.
Correlation Analysis of Reactivity in the Oxidation of Organic Sulfides by Benzyltrimethyl-Ammonium Dichloroiodate
Authors: Sankhla Rekha , Kothari Seema
Published: December 2009

The oxidation of organic sulfides by benzyltrimethylammonium dichloroiodate (BTMACI), in glacial acetic acid in the presence of zinc chloride, involves the formation of a halogenosulfonium cation in the rate-determining step.
Effective Solvent-Free Synthesis of A-Acylazo Compounds with Active Manganese Dioxide Catalysed by Sulfuric Acid Supported on Silica Gel
Authors: Wang Yu-lu , Zhao Yue-wei , Ma Dong-lan
Published: December 2009

Under solvent-free conditions eight azo compounds were prepared using active manganese dioxide as the oxidant catalysed by H2SO4 supported on silica gel.
An Experimental NMR and Semi-Empirical Theoretical Study of the Conformation of Styrylchromones and Styryl Alkyl or Aryl Ketones (Benzylidene Ketones)
Authors: Silva Artur M. S. , Pinto Diana C.G.A. , Cavaleiro José A.S. , Martínez Ana , Castro Ana , Elguero José
Published: December 2009

The configurations and conformations of styrylchromones and benzylidene ketones were determined by NMR spectroscopy. The cyclisation of the former to xanthones was studied showing clear differences in reactivity. These structural aspects were rationalised with the help of AM1 calculations.
A New Synthesis of Alkenes via a Boron Trifluoride Mediated Reaction of Aliphatic Ketones with Aromatic Ketones
Authors: Malladi Rama R. , Kabalka George W.
Published: December 2009

Aromatic ketones react with aliphatic ketones to produce alkenes in the presence of boron trifluoride.
A Novel Chalcone from Garcinia Nervosa
Authors: Ilyas Mohammad , Perveen Mehtab , Shafiullah  , Ahmad Syed Mohmud
Published: December 2009

A novel chalcone 5′-bromo-2′-hydroxy-4,4′,6′-trimethoxy-chalcone, isoliquiritigenin-4,4′-dimethyl ether (2′-hydroxy-4,4′-dimethoxy chalcone) and 2′-hydroxy-3,4,4′,6′-tetramethoxy dihydrochalcone have been isolated from the leaves of Garcinia nervosa. Their structure have been elucidated on the basis of chemical and spectral evidences (1H NMR, 13C NMR, HMQC, NOE, IR, UV and mass spectra).
Selective and Efficient Oxidation of Diaryl Carbazide to Diaryl Carbazone with NaNO2/NaHSO4• H2O/SiO2
Authors: Li Xiao-Chuan , Wang Yu-Lu , Wang Jin-Ye
Published: December 2009

Ten diaryl carbazide are shown to undergo selective and rapid oxidation to the diaryl carbazones using NaNO2/NaHSO4• H2O/SiO2 as a novel mild oxidising agent.
Novel Polyethylene Glycol Derivatives of Melatonin and Serotonin. Ligands for Conjugation to Fluorescent Cadmium Selenide/Zinc Sulfide core shell Nanocrystals
Authors: Tomlinson Ian D. , Kippeny Tadd , Swafford Laura , Siddiqui Nasir H. , Rosenthal Sandra J.
Published: December 2009

This paper describes the synthesis and characterisation of derivatives of melatonin and serotonin that may be attached to highly fluorescent cadmium selenide/zinc sulfide core shells nanocrystals for use in biological assays and fluorescence imaging applications.
Oxidation of 3-Aminoquinazolinones with Lead Tetraacetate. A Novel Synthesis of Naphtho-Fused Azirino-Pyrazolo- and 1,4,5-Oxadiazepino-Quinazolinones
Authors: El-Sharief A.M. Sh. , Ammar Y.A. , Zahran M.A. , Ali A.H.
Published: December 2009

Oxidation of 3-aminoquinazolin-4(3H)-one derivative 3c using lead tetraacetate in methylene chloride at −20°C gave aziridine 4, while reaction of 7b and 7c under similar conditions gave the oxadiazepine derivatives 7H-naphtho[2′,1′:6,7][1,4,5]oxadiazepino[3,4-b]quinazolin-9(15H)-one (9) and 16H-naphtho[1′,2′:6,7][1,4,5]oxadiazepino[3,4-b]quinazolin-14(8H)-one (11), respectively.
5-(4,6-Diphenyl-2-pyrimidinyl)-1,3,4-oxa(thia)diazoles and 1,2,4-triazoles
Authors: Mekuskiene Giedrute , Tumkevicius Sigitas , Vainilavicius Povilas
Published: December 2009

Synthesis of 5-(4,6-diphenyl-2-pyrimidinyl)-1,3,4-oxa(thia)diazoles and corresponding 1,2,4-triazoles from 4,6-diphenyl-2-pyrimidinecarboxylic acid hydrazide and 1-(4,6-diphenyl-2-pyrimidinylcarbonyl)-4-phenylthiosemi-carbazide is described.
A Facile Preparation of Pyridine- and Quinoline-Carboxaldehydes by Palladium Catalysed Carbonylation
Authors: Holzapfel Cedric W. , Ferreira Alta C. , Marais Wilhelmina
Published: December 2009

A range of pyridine and quinoline carboxaldehydes have been prepared by palladium catalysed carbonylation from the corresponding bromides and triflates.
A One-Pot Synthesis of β-Chloro Acetates/Benzoates from Epoxides
Authors: Chandra Kusum L. , Bisai Alakesh , Saravanan P. , Singh Vinod K.
Published: December 2009

A variety of epoxides were converted into β-chloroacetates and benzoates by using TMSCl and the corresponding acid anhydride in the presence of a catalytic amount of Cu(OTf)2.
Flavonoids from Acacia Tortilis
Authors: Muhaisen Hasan M. H. , Ilyas M. , Mushfiq M. , Parveen Mehtab , Basudan Omer A.
Published: December 2009

A novel isoflavone, 5,7-dihydroxy-4′- p-methyl benzyl isoflavone 1a, and three known flavonoids apigenin, luteolin and quercetin have been isolated from the leaves of Acacia tortilis. Their structures were elucidated by chemical and physical data (IR, UV, 1H-NMR, 13C-NMR and MS spectra).
First Total Synthesis of Kuhistanol D
Authors: Xie Zhixiang , Hu Yang , Li Ying , Li Yulin
Published: December 2009

First total synthesis of Kuhistanol D, starting from readily available ethyl 4-hydroxybenzoate, is described.
The Synthesis of N-(1-Allyl-3-Butenyl)-N-Aryl Amines by Addition of Organosamarium Reagents to Formanilides
Authors: Li Zhifang , Zhang Yongmin
Published: December 2009

N-(1-allyl-3-butenyl)-N-aryl amines have been prepared for the first time in good yield via the direct diallylation reaction of formanilides with an organosamarium reagent under mild conditions.
Microwave Enhanced Acetylation of Alcohols
Authors: Patnam Ramesh , Chang Fang-Rong , Kuo Reen-Yen , Pan Wen-Bin , Wu Yang-Chang
Published: December 2009

Microwave irradiation of alcohols with acetic anhydride in the presence of a catalytic amount of NaOH for a few minutes yielded the corresponding acetylated products in excellent yield.
Interaction Site and Proton Transfer Equilibrium in the 4-Aminoantipyrine-Pentachlorophenol Hydrogen–Bonded Adduct
Authors: Habeeb Moustafa M.
Published: December 2009

The hydrogen-bonding interaction site between 4-aminoantipyrine (4AAP) and pentachlorophenol (PCP) was investigated in the crystalline form using FT-IR and in solution using FT-IR, UV-Vis and 1H,13C NMR spectroscopies.
Potassium Bis(2-[α-Hydroxyalkyl/Aryl] Benzimidazolato) Dioxovanadates(V) through Base Assisted Aerial Oxidation of the Corresponding Oxovanadium(IV) Complexes
Authors: Maurya Mannar R. , Khurana Shilpa
Published: December 2009

Bis(2-[α-hydroxyalkyl/aryl]benzimidazolato)dioxovanadates(V) dihydrates, as their potassium salts, were prepared by the reaction of [VO(acac)2] with the respective benzimidazole followed by aerial oxidation in presence of KOH. An octahedral structure has been proposed for these complexes on the basis of IR, electronic and 1H NMR spectral studies, and thermogravimetric analysis.
Efficient Imidazolium Catalysts for the Benzoin Condensation
Authors: Gao Ge , Xiao Rong , Yuan Yi , Zhou Cheng-He , You Jingsong , Xie Ru-Gang
Published: December 2009

The benzoin condensation occurred easily within minutes when imidazolium salts 7–9 were used as catalysts at low concentrations (1 mol%) in tetrahydrofuran with 50% aqueous sodium hydroxide, and the benzoin yield rose to 91% on catalysis by 7c, N-methyl-N ‘benzylimidazolium hexafluorophosphate.
Synthesis and Biological Activity of New 1,2,3-Triazole Acyclonucleosides Analogues of ACV
Authors: Radi Smaail , Lazrek Hassan B.
Published: December 2009

The synthesis of new 4,5-substituted 1-[(2-hydroxyethoxy)methyl]-1,2,3-triazole 3a–e is described. The key step is the 1,3-dipolar cycloaddition between the azido group and an acetylenic group. Biological evaluation show significant activity.
Comparative Evaluation of Oxidising and Nucleophilic Properties of Some α-Nucleophiles
Authors: Cassagne Thierry , Cristau Henri-Jean , Delmas Gérard , Desgranges Michel , Lion Claude , Magnaud Gilbert , Torreilles Έliane , Virieux David
Published: December 2009

Six α-nucleophiles were evaluated at pH = 8 in an aqueous methanolic solution for their oxidising power towards tetrahydrothiophene, and the nucleophilic properties towards paraoxon. MMPP and m-CPBA are the most versatile reagents and can act as nucleophiles as well as oxidising agents.
Functionalisation at the C-16 Position of 16-Dehydro-20-Oxopregnanes (Steroid Drug Intermediates) via Vinyl Nitration with CAN–NaNO2–CH3CN System
Authors: Goswami Papori , Chowdhury Pritish
Published: December 2009

16-Dehydro-20-oxopregnanes react with the CAN-NaNO2-CH3CN system to furnish vinyl nitro derivatives, viz, 16-dehydro-16-nitro-20-oxopregnanes while Δ5-steroids react with the system to furnish Δ4-6α and Δ4-6β nitro steroids with complete suppression of the acetamidation reaction on the double bond in both cases.
Benzopyrans. Part 43.1 Reactions of Some Simple Condensates of 4-oxo-4H-1-Benzopyran-3-Carboxaldehyde with Ethyl β-Aminocrotonate
Authors: Ghosh Chandra Kanta , Karak Sumit Kumar , Patra Amarendra
Published: December 2009

With ethyl β-aminocrotonate, the chromone 2A (X = H(A), Me(B), Cl(C)) gives a mixture of the dihydropyridine 4A and pyranopyridine 15A, 2B gives 4B, and 2C gives varying amounts of the substituted enamine 3C, pyridone 4C and benzophenone 8. 5-Hydroxy-5H-[1]benzopyrano-[4,3-b]pyridine 11 (< 3%) was obtained in each case. Palladised charcoal dehydrogenates dihydropyridines 4A and 4B to respectively 12A and 12B and ammonia converts 12A into the diazanaphthalene 13.
Regioisomeric Formation of the Linear 1,2,4-Triazolo[4′,3′: 2,3][1,2,4]Triazino[5,6-b]Indole from 3-Hydrazino-1,2,4-Triazino[5,6-b]Indole Derivatives
Authors: Ashry El Sayed H. El , Hamid Hamida Abdel , Mousaad Ahmed , Ramadan El Sayed
Published: December 2009

Oxidative cyclisation of the ethylidene derivatives of 5-allyl-3-hydrazino-1,2,4-triazino[5,6-b]indole (7) and 8-bromo-3-hydrazino-5H-1,2,4-triazino[5,6-b]indole (8) gave regioselectively the linear isomers, 10-allyl-3-methyl-1,2,4-triazolo[4′,3′:2,3][1,2,4]triazino[5,6-b]indole (15) and 7-bromo-3-methyl-10H-1,2,4-triazolo[4′,3′:2,3][1,2,4]triazino-[5,6-b]indole (16), respectively. They were also obtained by the dehydrative cyclisation of 5 and 6 respectively with acetic acid as well as by the condensation of the N-allyl- (22) or 5-bromo-isatin (23) with 3,4-diamino-5-methyl-4H-1,2,4-triazole (24). The corresponding allyl derivatives 17 and 18 were also synthesised. Some sugar derivatives of 5 were prepared.
The Synthesis of Amphiphilic Chiral Dendritic 1,1′-Bi-2-Naphthol Derivatives and their Application as Amphiphiles in Aqueous Asymmetric Hydrogenation
Authors: Fan Qing-Hua , Zhang Rui , Deng Guo-Jun , Chen Xiao-Min
Published: December 2009

Six new amphiphilic chiral dendritic BINOLs were synthesised via coupling reactions of optically active BINOL and the Frèchet-type poly(aryl ether) dendrons with peripheral oligo(ethyleneglycol) groups, and were used as amphiphiles for promoting the asymmetric hydrogenation of 2-[p-(2-methylpropyl)- phenyl]acrylic acid in an aqueous media.
Synthesis and Crystal Structure of a New Butterfly Cluster [Rh2Co2 (CO)6(μ-CO)4(μ4,η2-HC≡CFeCp2)]
Authors: Zhu Bao-Hua , Hu Bin , Zhang Wei-Qiang , Yin Yuan-Qi , Sun Jie
Published: December 2009

The new butterfly cluster [Rh2Co2(CO)6(μ-CO)4(μ4, η2-HC≡CFeCp2)] 3 was obtained by the reaction of [Rh2Co2(CO)12] 1 with the 1-alkyne ligand HC≡CFeCp2 2, and the structure of cluster 3 has been established by single-crystal X-ray diffraction methods.
Samarium Chloride Catalysed Biginelli Reaction: One-Pot synthesis of 3,4-Dihydropyrimidin-2(1H)-Ones
Authors: Fan Xuesen , Zhang Xinying , Zhang Yongmin
Published: December 2009

An efficient synthesis of 3,4-dihydropyrimidin-2(1 H)-one derivatives using samarium chloride as a catalyst from aldehyde, β-keto ester and urea or thiourea in ethanol is described; compared to the classical Biginelli method, this new method has the advantages of good yields and milder reaction conditions.
Samarium Triiodide Mediated dethiocyanation of Phenacyl Thiocyanates and Its Application in Carbon–Carbon Bond Formation Reactions
Authors: Fan Xuesen , Zhang Yongmin
Published: December 2009

Promoted by SmI3, phenacyl thiocyanates can undergo efficiently dethiocyanation and thus give a samarium enolate intermediate. On treatment with water or aldehydes and water subsequently, this in situ generated intermediate can give acetophenones or α,β-unsaturated ketones respectively in high yields under mild conditions.
Ytterbium Metal Promoted reaction of Disulfides with 2-Oxoimidazolidine-1-Carbonyl Chlorides
Authors: Su Weike , Gao Ning , Zhang Yongmin , Zhu Junfei
Published: December 2009

In the presence of a catalytic amount of methyl iodide, ytterbium metal can promote the reductive acylation of disulfides with 2-oxoimidazolidine-1-carbonyl chlorides to give 2-oxoimidazolidine-1-carbonyl thiolesters in good yields under neutral conditions.
Optical Resolution of Mandelic Acid by Complexation with (S)-(+)-Alanine
Authors: Tanaka Koichi , Fukuoka Takatumi , Shiro Matoo
Published: December 2009

Racemic mandelic acid (2) was resolved efficiently by complexation with ( S)-(+)-alanine (1) and the crystal structure of 2:2:1 complex of ( S)-(+)-alanine (1), ( R)-(-)-mandelic acid (2) and H2O was determined characterizing the hydrogen bond network in the solid state.
A Novel Reductive Cyclisation of Arylidenecyanoacetate Induced by the TiCl4/Sm System
Authors: Shi Daqing , Zhao Hong , Wang Xiangshan , Yao Changsheng , Zhou Longhu
Published: December 2009

The intermolecular reductive coupling reaction of arylidenecyanoacetates induced by the TiCl4/Sm system was studied and the configuration of a cyclodimerisation product was confirmed by X-ray analysis.
Zinc-induced reduction of Ethyl 2-Cyano-3-(4-Oxo-4H-1-Benzopyran-3-Yl)Propenoates – a Medium-Dependent Reaction
Authors: Bandyopadhyay Chandrakanta , Sur Kumar Ranabir , Patra Ranjan
Published: December 2009

Reduction of acrylates 11 with Zn in THF containing aqueous NH4Cl produces the cyclopentadienones 4, whereas with Zn in acetic acid reduction produces the cyanopropanoates 5.
Preparation and Characterisation of 2,2,2-Triphenyl-2λ5-1,3,2-Dioxastibolane-4,5-Dione as Standard For an Attempt to Trap 1,2-Dioxetanedione, A Possible High-Energy Intermediate in Peroxyoxalate Chemiluminescence
Authors: Stevani Cassius V. , Baader Wilhelm J.
Published: December 2009

The thermally stable triorganoantimony derivative, 2,2,2-triphenyl-2λ5-1,3,2-dioxastibolane-4,5-dione, has been prepared and characterised being then used as a reference in attempts to trap 1,2-dioxetanedione, one of the high-energy intermediates postulated in peroxyoxalate chemiluminescence, by an insertion reaction with triphenylantimony.
An Efficient Method for the Oxidation of 1,4-Dihydropyridines under Mild and Heterogeneous Conditions via in Situ Generation of NOCl
Authors: Zolfigol Mohammad Ali , Choghamarani Arash Ghorbani , Dialameh Solmaz , Sadeghi Majid M. , Mohammadpoor-Baltork Iraj , Memarian Hamid Reza
Published: December 2009

A combination of inorganic chloride salts [e.g. AlCl3, ZrCl4, and ZnCl2] and sodium nitrite in the presence of wet SiO2 was used as an effective oxidising agent for the oxidation of dihydropyridines to their corresponding pyridine derivatives under mild and heterogeneous conditions in moderate to excellent yields.
Evidence for the formation of a New Five-Membered Ring Cyclic Allene: Generation of 1-Cyclopenta-1,2-Dien-1-Ylbenzene
Authors: Ceylan Mustafa , Yalçın Seher , Seçen Hasan , Sütbeyaz Yaşar , Balci Metin
Published: December 2009

Treatment of 1-(2-iodocyclopent-1-en-1-yl)benzene (13), dissolved in benzene, with potassium t-butoxide resulted in the formation of 1-(2-phenylcyclopent-1-en-1-yl)benzene (15) and 1-cyclopent-1-en-1-ylbenzene (5) in a ratio of 1:1.
Electron Paramagnetic Resonance of Gamma Irradiation Damage Centres in Acetyl and Carbamyl-β-Methyl Choline Chloride
Authors: Osmanoğlu Şemsettin , Başkan M. Halim
Published: December 2009

The EPR spectra of 7-irradiated powders of acetyl-β-methyl choline chloride (AβMCCl) and carbamyl-β-methyl choline chloride (CβMCCl) indicated the existence of the [Me3NĊMeCH2OCOMe]Cl radical in the former and of the [Me3NĊMeCH2OCONH2]Cl radical in the latter.
FeCl3•6H2O Catalysed Condensation of Aldehydes and Ketones in Ionic Liquid: A Novel Green Synthesis of Chalcones
Authors: Zhang Xinying , Niu Hongying , Wang Jianji
Published: December 2009

Using iron(III) chloride hexahydrate as a catalyst, chalcones were efficiently prepared from acetophenone and benzaldehyde in ionic liquid (1-butyl-3-methylimidazolium tetrafluoroborate) for the first time. Compared with the known methods, this novel access to chalcones has the advantage of being a green process together with good yields and mild reaction conditions.
A Novel Synthesis of 2- Diethylamino-3-O-Nitrobenzylquinolines
Authors: Sayed Alim A. , Wadia M.S.
Published: December 2009

Four hitherto unknown 2-diethylamino-3- o-nitrobenzylquinolines have been prepared by the reaction of a preformed 1:1 complex of β-aryl- N,N-diethylpropanamides and phosphorus oxychloride with o-acetamidobenzaldehydes.
Reactions of the Highly Sterically Hindered Silanols (Me3Si)3CSiMe(C6H4R-p)OH with acid chlorides
Authors: Safa Kazem D. , Mostafaie Hojjat , Doust Yaghoub Haghighat
Published: December 2009

The silanol TsiSiMe(C6H4Me- p)OH (Tsi = (Me3Si)3C) has been shown to react with some acid chlorides RCOCl (R = Me, Et, ClCH2) and acetic acid anhydride (MeCO)2O to give the related carboxylates TsiSiMe(C6H4Me- p)OCOR. It also reacts with 4-O2NC6H4COCl and a mixture of Cl2CHCOCl and AlCl3 to give TsiSiMe[C6H3-3-(CO-C6H4NO2-p)-4-Me]OCOC6H4NO2-p and TsiSiMe[C6H3-3-(COCHCl2- 4-Me)]OCOCHCl2 respectively. The reaction of the silanol TsiSiMe(C6H4OMe-p)OH with acid chloride RCOCl (R = Me or Et) gives TsiSiMeClOCOR and TsiSiMe(RCO)OCOR, while in the presence of pyridine gives the normal carboxylate TsiSiMe(C6H4OMe-p)OCOR.
Novel Stereoselective Synthesis of (E)-α,β-Unsaturated Nitriles and Ketones by the Tandem reaction of Deprotonation–oxidation–Wittig Reaction from Phosphonium Salts
Authors: Huang Zhi-Zhen , Sun Ruo-Jun
Published: December 2009

Phosphonium salt 1 and the alcohol 2 can undergo a tandem deprotonation–oxidation–Wittig reaction in the presence of sodium hydroxide and manganese dioxide, afford to an efficient method for the stereoselective synthesis of ( E)-α,β-unsaturated nitriles and ketones 3.
kinetics of Aquation of Dichloro Tetrapyridine Ruthenium(Ii) Complex in Binary Aqueous Solvents
Authors: Khalifa M.A. , Ismail A.M. , El-Batouti M. , El-Hawaty A.
Published: December 2009

First-order solvolysis rates of trans-dichloro tetrapyridine ruthenium(II) have been measured UV spectrophoto metrically over a wide range of solvent compositions in temperature ranges(40–55°C) in water–2-propanol and water– t-butanol mixtures. The rate of solvolysis is faster in the former than in the latter. Plots of log (rate constant) versus the reciprocal of relative permitivity of the co-solvent gave a non-linear relation for both co-solvents, this non-linearity is derived from a large differential effect of solvent structure between the initial and transition states. Δ S# of activation correlates well with the extrema in physical properties of the mixtures which are related to changes in solvent structure. Linear plots of Δ H# versus Δ S# were obtained and the isokinetic temperature indicates that the reaction is entropy controlled.
The Hydroboration of Some Steroidal Hydroxymethylene Derivatives
Authors: Al-Fouti Khaled , Hanson James R.
Published: December 2009

The regio- and stereochemistry of the hydroboration of some methoxymethylene steroids and hydroxymethylene (β-formyl) steroidal ketones and the oxidation of the adducts to form the corresponding hydroxymethyl steroids, are described.
Kinetic control of the aquation of the Hexathiocyanatochromate(Iii) Ion by Associative interaction of Poly(Acrylamide) in Aqueous Medium
Authors: Anbalagan Krishnamoorthy , Sutharson Subramanian
Published: December 2009

Cooperative interaction of poly(acrylamide) is found to decelerate significantly the aquation rate of [Cr(NCS)6]3- in acidic, neutral, and basic media, which is an indication of kinetic control of macromolecules on reactions.
Ent-Costunolide from the Liverwort Hepatostolonophora Paucistipula
Authors: Baek Seung Hwa , Perry Nigel B. , Lorimer Stephen D.
Published: December 2009

Bioactivity-directed isolation work on the New Zealand liverwort Hepatostolonophora paucistipula afforded the sesquiterpene lactones (-)- ent-costunolide (1) and (-)- ent-arbusculin B (2) as cytotoxic compounds. This is the first report of 1, enantiomeric to the known germacranolide (+)-costunolide (3).
Structure of a Hexacobalt Cluster Containing Twin Pyramidal Co3S(CO)7 fragments Linked by a Novel Phosphido-Thiolato Ligand
Authors: Liu Shu-Tang , Hu Xiang , Yu Fu-Qing , Zhao Zhi-Rong , Wu Bin-Fang
Published: December 2009

The new cluster [Co6(μ3-S)2(CO)14(μ4-η2-SPC6H4OMe)] 1 was isolated from the reaction of Co2(CO)8 with dimers of p-methoxyphenylthionophosphine sulfide, and its structure 1 has been determined by single crystal X-ray diffraction.
Synthesis of Meso-Tetraarylporphyrins in Air with Silica Chloride as Catalyst
Authors: Sharghi Hashem , Nejad Ali Reza Hassani
Published: December 2009

Meso-tetraarylporphyrins (14 examples) are prepared efficiently by condensation of pyrrole with aromatic aldehydes in the presence of silica chloride, followed by air oxidation. The method is compared with other published procedures.
Ab Initio Study of Solvent Effects on Rate of 1,3-Dipolar Cycloadditions of Benzonitrile Oxide and Various Dipolarophiles
Authors: Rajaeian E. , Monajjemi M. , Gholami M.R.
Published: December 2009

Ab initio molecular orbital calculations have been used to investigate the structures and the transition states of 1,3-dipolar cycloadditions between benzonitrile oxide with ethylene, cyclopentene, acrylonitrile and tetracyanoethylene in heptane and water: calculations reveal enhanced hydrogen bonding of a water molecule to the transition states for the cycloaddition 1,3-dipolar of reaction of benzonitrile oxide with cyclopentene, the optimal interaction energies being 0.7 kcal/mol more favourable for hydrogen bonding to the oxygen atom in the transition states than for the reactants.
A Facile synthesis of 2-Methyl-1,2,3-Triazoles
Authors: Xu Beihua , Hu Yongzhou
Published: December 2009

Reaction of α-bromoacetophenone bearing various substituents on the benzene rings with methylhydrazine in refluxing acetic acid afforded 2-methyl-4-phenyl-1,2,3-triazoles. The relation between the substituents and the yields is briefly discussed.
Influence of Perchloric Acid on the Crystalline phase of Nanosized Tio2 Formed in Reverse Micelles
Authors: Zhang Ru-Bing , Zhang Ya-Fei
Published: December 2009

Nanosized titania have been produced by the controlled hydrolysis of tetrabutyl titanate (TBT) in sodium bis(2-ethylhexyl)sulfosuccinate (SBS) reverse micelles. Nanoparticles could be produced at relatively high TBT concentrations. These nanoparticles aggregated into sols, with colloid sizes of 40–60 nm, eventually forming gelatinous precipitates. The effect of perchloric acid added during hydrolysis on the crystallinity of the titania nanopowders was investigated. The HClO4 enhanced the phase transformations of the titania powders from amorphous to anatase as well as anatase to rutile. Different titania phases were produced, depending on the [HCIO4]/[TBT] ratio. Thus [HclO4]/[TBT]=0.15 yielded anatase at 80°C, while [HClO4]/[TBT]=0.20 produced 100% rutile at 100°C.
An Efficient and Convenient Method for the synthesis of Acyldiazenes from Acylhydrazines
Authors: Li Jian-Ping , Liu Ping , Wang Yu-Lu
Published: December 2009

The synthesis of acyl-diazenes by using N-bromosuccinimide (NBS) and pyridine as the oxidation system to dehydrogenate acylhydrazines is reported.
Kinetics and mechanism of the oxidation of Substituted Benzylamines by Oxo(Salen)Manganese (V) Complexes
Authors: Dubey Rashmi , Kótai László , Banerji Kalyan K.
Published: December 2009

The oxidation of substituted benzylamines by oxo(salen) Mn(V) complexes, to the corresponding aldimine, proceeds through a hydride ion transfer from the amine to the oxidant.
Activation of Ethynyl-β-Ionol by Lewis Acid Catalysts: Synthesis of a Novel Branched C20 Molecule
Authors: Lamaty Frédéric
Published: December 2009

A condensation C15 + C5 between ethynyl-β-ionol and a derivative of prenal was performed at low temperature in the presence of a Lewis acid. The coupling occurs at position 7 of ethynyl-β-ionol and led to the efficient synthesis of a new C20 molecule rather than the expected retinal.
Medium-Sized Cyclophanes, 63.1 Synthesis and Structure of [2.2]Metacyclophane-1,2-Diol and Conversion Into [2.2]Metacyclophane-1,2-Dione by Swern Oxidation
Authors: Yamato Takehiko , Hironaka Toru , Saisyo Tatsunori , Manabe Tomoki , Okuyama Ken-ichiro
Published: December 2009

McMurry cyclisation of 1,2-bis(5- t-butyl-2-methyl-3-formylphenyl)ethane 2 afforded anti-[2.2]metacyclophan-1-ene 3 and anti-[2.2]metacyclophane-1,2-diols 4, which were converted into the corresponding 1,2-dione 6 by Swern oxidation.
Stoichiometric Solvation Effects on the Reduction Reactions of a Cobalt(III) Complex in Aquo-organic Solvents
Authors: Anbalagan K. , Ilango S. Siva , Poonkodi S.P.R.
Published: December 2009

Solvent effects on the reduction of Co(NH3)4ox+ in water-methanol/1,4-dioxane mixtures have quantitatively been analysed in terms of linear solvation energy relationships. The experimentally determined rate constants/quantum yield values are well correlated with solvent empirical parameters through an equation of the form Y= a0+ a1 X1+ a2 X2+…+ an Xn, wbich revealed significant information on the solvent–solvent–solute interactions
Chiral Anionic Surfactants for Asymmetric Mukaiyama Aldol-Type Reaction in Water
Authors: Li Hui Jing , Tian Hong Yu , Chen Yong Jun , Wang Dong , Li Chao Jun
Published: December 2009

Sulfonate derivatives of chiral 1,1′-binaphthol were used as chiral anionic surfactants in asymmetric aldol-type reaction in water to give aldol adducts with moderate to good diastereo- and enantioselectivities; Ga(OTf)3 and Cu(OTf)2 were better than Sc(OTf)3 as Lewis acid catalysts.
Further studies of Orientation Effects in the Pechmann synthesis of Coumarins
Authors: Osborne Alan G. , Andrews Steven J. , Mower Rachel
Published: December 2009

The proportion of 5-/7- substituted coumarins formed in the Pechmann synthesis from meta-substituted phenols and malic acid and ethyl acetoacetate under a variety of reaction conditions, with product analysis by 1H and 13C NMR spectroscopy, is reported.
utility of Cyanothioformamides in synthesis of Some Bis(Imidazole, Oxazole, Thiazole, Oxadiazole, Triazole, Benzoxazinethione and Quinazoline) Derivatives
Authors: El-Sharief A.M. Sh. , Ammar Y.A. , Zahran M.A. , Sabet H. Kh.
Published: December 2009

Interaction of 1,4-bis(cyanothioformamido)benzene 2 with various electrophilic and nucleophilic reagents furnished the corresponding bis(imidazole, oxazole, thiazole, oxadiazole, triazole, benzoxazinethione and quinazoline) derivatives.
Synthesis and X-ray Crystallographic Analysis of 4,4′-Disubstituted N–(2-Hydroxypropyl)Azetidin-2-One from Benzil and (±)-2-Amino-1-Methylethanol
Authors: Sharma S.D. , Venugopalan Paloth , Bhaduri Susmita
Published: December 2009

5,6-Dihydro-2-hydroxy-6-methyl-2,3-diphenyl-2 H-1,4-oxazine 1, derived from benzil and (±)-2-amino-1-methylethanol, reacts with phenoxyacetyl chloride in the presence of triethylamine to give a single isomer of a 4,4′-disubstituted azetidin-2-one 2, whose structure has been unambiguously confirmed by X-ray crystallographic analysis.
Esterification of Carboxylic Acids with Alcohols under Microwave Irradiation in the presence of Zinc Triflate
Authors: Shekarriz Marzieh , Taghipoor Sohrab , Khalili Ali Asghar , Jamarani Mohammad Soleymani
Published: December 2009

The esterification of aliphatic and aromatic carboxylic acids with various alcohols (1°, 2°, 3°, benzylic) was studied under microwave irradiation in the presence of zinc triflate as catalyst; the reaction times were short and the yield of reactions was good to excellent.
MicrowavE Assisted hydrolysis of Meldrum'S Acid Derivatives and decarboxylation of Derived Malonic Acids
Authors: Helavi V.B. , Solabannavar S.B. , Desai U.V. , Mane R.B.
Published: December 2009

Microwave induced hydrolysis of alkyl Medrum's acids and decarboxylation of derived malonic acids using poly-4-vinylpyridine as a catalyst gives high yields of carboxylic acids in a short time.
Titanium Oxide (TiO2) Catalysed One-Step Beckmann Rearrangement of Aldehydes and Ketones in Solvent Free Conditions
Authors: Sharghi Hashem , Sarvari Mona Hosseini
Published: December 2009

In the presence of titanium oxide (TiO2) and without any additional organic solvents, Beckmann rearrangement of several ketones and aldehydes was performed in good yield.
Addition reactions of Acetylenic Esters to 6,7-Dihydrobenzo[B]Furan-4(5H)-One, 6,7-Dihydroindol-4(5H)-One, 5,6-Dihydrobenzo[B]Furan-7(6H)-One and 5,6-Dihydroindol-7(6H)-One Ketoximes. Formation of Reduced Furo[G]- and Pyrrolo[G]-Indoles
Authors: Pinna Gérard Aimè , Sechi Mario , Paglietti Giuseppe , Pirisi Maria Antonietta
Published: December 2009

Thermal rearrangement of 6,7-dihydrobenzo[ b]furan-4(5 H)-one and 4,5,6,7-tetrahydroindol-4-one 4(7)- O-( E)-(1,2-dimethoxycarbonylvinyl)ketoximes gave 4,5-dihydrofuro[2,3 g]- and 4,5-dihydropyrrolo[2,3 g]- and [3,2- g] indoles, three novel tricyclic systems
Designer Ligands. Part 10.1 Novel Nickel(Ii)-Selective Ligands for Use in the Construction of Molecularly Imprinted Polymers
Authors: Kaye Perry T. , Tshikhudo T. Robert
Published: December 2009

Novel, bidentate nickel(II)-selective ligands have been developed for use in the construction of molecularly imprinted polymers (MIPs), preliminary evaluation of which indicates high selectivity for nickel(II) over iron(III).
Reaction of 2-Benzoyl-1,2-Dihydroisoquinoline-1-Carbonitrile Tetrafluoroborate Salt with 2-Arylmethylene-1,3-Indanediones. Regio- and Stereochemistry of the Reaction. Formation of Spiro Compounds
Authors: Boudriga Sarra , Askri Mohiedinne , Rammah Mohamed , Monnier-Jobé Karin
Published: December 2009

The regio- and stereochemistry of spiro-adducts derived from [4+2] cycloaddition between the title compounds were deduced by 1H NMR data and the elucidated structure of the tetrasubstituted pyrroles obtained by acidic hydrolysis.
The Biotransformation of 5β-Methylestr-9-Enes by Cephalosporium Aphidicola
Authors: Hanson James R. , Hitchcock Peter B. , Yildirim Kudret
Published: December 2009

The products of the microbiological hydroxylation of 5β-methylestr-9-enes by the fungus Cephalosporium aphidicola have been shown to include the 3-keto-1,9-diene, the 3-keto-10β-hydroxy-9(11)-alkene and the 3-keto-11β-hydroxy-9(10)-alkene.
The Microbiological Hydroxylation of 3α,17β- and 3β,17α-Dihydroxy-5α-Androstanes by Cephalosporium Aphidicola
Authors: Hanson James R. , Hunter A. Christy
Published: December 2009

Both 3α,17β- and 3β,17α-dihydroxy-5α-androstanes are hydroxylated at C-6β by the fungus, Cephalosporium aphidicola but the 3α,17β-diol is also hydroxylated at C-7α whereas the 3β,17α-diol is hydroxylated at C-11β.
The Microbiological Hydroxylation of 4,4-Dimethylandrost-5-Enes by Cephalosporium Aphidicola
Authors: Bensasson Caroline , Hanson James R. , Parvez Aslam
Published: December 2009

The microbiological hydroxylation of 4,4-dimethylandrost-5-en-3-ones by the fungus, Cephalosporium aphidicola, takes place at C-7 rather than in a biosynthetically patterned sense on the C-4 dimethyl groups.
The Westphalen Rearrangement of a Tricyclic Steroid
Authors: Hanson James R. , Hitchcock Peter B. , Kiran Ismail
Published: December 2009

A tricyclic steroidal des-ring D-androstane derived from the Koster-Logemann ketone has been shown to undergo a backbone Westphalen rearrangement. The structure s of the products have been established by X-ray crystallography.
Efficient Solvent-Free Oxidative coupling of 2-Naphthols by Copper(Ii) Oxymetasilicate under Microwave Irradiation
Authors: Adibi Mina , Mohajeri Ali
Published: December 2009

Solvent-free oxidative coupling of 2-naphthols by copper(II) oxymetasilicate without solvent under microwave irradiation gives the corresponding 1,1′-binaphthalene–2,2′-diols in 75-97% yields.
Kinetics and mechanism of oxidation of Chitosan Polysaccharide by Permanganate Ion in Aqueous Perchlorate Solutions
Authors: Ahmed Gamal Abdel-Whab , Khairou Khalid Suliman , Hassan Refat Moustafa
Published: December 2009

The kinetics of oxidation of chitosan as polysaccharide by permanganate in aqueous perchlorate media at a constant ionic strength was found to have second-order overall kinetics and to be first-order in the concentration of both reactants, the results obtained showed that the reaction is acid catalysed.
Manganese Mediated Aqueous reduction of Aromatic Nitro Compounds to Amines
Authors: Sarmah Parijat , Dutta Dilip K.
Published: December 2009

A chemoselective reduction of aromatic nitro compounds to amines using Mn/CuCl2(cat.)/THF-H2O is described.
Ethene Polymerisation with Titanium Half-Sandwich Amido-Complexes
Authors: Morillo Angel , Chirinos Juan , Rajmankina Tamara , Ibarra Darmenia , Arevalo Jose , Parada Alvaro
Published: December 2009

The complexes [CpTi(NR2)3] were tested in ethene polymerisation and the effect of the alkyl-amine groups on their activities was explored.
oxidation of Palladium(Ii) by Chromium(Vi) in Aqueous Ethanoic Acid and Chloride Media: A Kinetic and Mechanistic Study
Authors: Chimatadar S.A. , Guddalli S.T. , Nandibewoor S.T.
Published: December 2009

A mechanism involving chlorochromate (ClCrO-3) and [PdCl4]2- as oxidant and reductant respectively has been proposed. The activation parameters are computed and discussed.
Synthesis and Spectroscopic characterization of a New type of Heterotrimetallic alkoxides of Some Bivalent Metals
Authors: Sharma Malti , Singh Anirudh , Mehrotra Ram C.
Published: December 2009

Heterotrimetallic isopropoxides of the composition [{Zr2(OPri)9}Ba{M(OPri)3}]2 have been prepared by the in situ reactions of MCl2 [M = Be, Mg, Zn, Sn(II], Co, Ni, Cu(II), KZr2(OPri)9 and KBa(OPri)3 in equimolar amounts. Reaction of [{Zr2(OPri)9}Ba{Zn(OPri)3}]2 with tertiary butyl alcohol has been studied to gain an insight into its structure. All new derivatives have been characterised by elemental analyses, spectroscopic [IR, UV–VIS, and NMR (1H, 13C, and 119Sn)] studies and molecular weight measurements.
Ab Initio Theoretical Studies of Relative Stabilities and IR Spectrum of 5-Methylcytosine Tautomers
Authors: Ghassemzadeh Lida , Monajjemi Majid , Zare Karim
Published: December 2009

The structure and relative energies of the tautomers of 5-methylcytosine in the gasphase and in different solvents are predicted using MP2 and density functional theory methods. The order of stability for these tautomers is C3>C1>C2>C4>C5>C6 calculated by MP2 and C1>C3>C2>C4>C5>C6 calculated by the B3LYP method. Relative energy calculations are performed in wide range of solvent dielectrics and in all solvents the oxo-amino C1 is predicted as the most stable tautomer. The infrared spectra of two dominant tautomers are calculated in the gas phase using HF and density functional theory. Good agreement between calculated (DFT) and experimental harmonic vibrational frequencies is found.
Determination of all pKa Values of Some di- and Tri-Carboxylic Unsaturated and Epoxy Acids and Their Polylinear Correlation with the Carboxylic Group Atomic Charges
Authors: Pfendt L. , Drazić B. , Popović G. , Drakulić B. , Vitnik Z. , Juranić I.
Published: December 2009

For a series of seven unsaturated and seven epoxy di- and tricarboxylic acids, p Kaa values were determined potentiometrically in aqueous media at 25 °C and an ionic strength of 0.1 M (NaCl). The thermodynamic p Kaa values were correlated with the atomic charges of carboxylic group calculated by the MNDO-PM3 semiempirical MO method.
Cyclodimerisation of α,β-Unsaturated Ketones Promoted by the TiCl4/Sm System
Authors: Shi Daqing , Rong Liangce , Wang Juxian , Zhuang Qiya , Wang Xiangshan , Tu Shujiang , Hu Hongwen
Published: December 2009

The cyclodimerisation of α,β-unsaturated ketones induced by the TiCl4/Sm system was studied, cyclopentanol derivatives are prepared in good yields under neutral and mild conditions.
Synthesis of Chiral Isoxazoline Derivatives by Highly Diastereoface-Selective 1,3-Dipolar Cycloaddition of Nitrile Oxides Mediated by Magnesium Bromide and Ytterbium Trifluoromethanesulfonate
Authors: Yamamoto Hidetoshi , Watanabe Sadaka , Hasegawa Masayuki , Noguchi Michihiko , Kanemasa Shuji
Published: December 2009

In the presence of an equimolar amount of Lewis acid such as magnesium bromide and ytterbium trifluoromethanesulfonate, 1,3-dipolar cycloaddition reactions of aromatic nitrile oxides to a chiral 3-acryloyl-2-oxazolidinone gave the corresponding chiral 2-isoxazolines in a diastereoselective manner.
Solvent Effects on the Internal Rotation Barrier around the C–N Bond and 14N NMR Shielding of 2-Amino-3-Mercapto Propionamide: Continuous Set of Gauge Transformation Calculations using a Polarisable Continuum Model
Authors: Shabani Mohsen , Monajjemi Majid , Aghai Hossein
Published: December 2009

Solvent effects on rotational barriers of 2-amino-3-mercapto-propionamide, an amide derived from cysteine, have been investigated at HF and MP2 levels of theory using a polarisable continuum model (PCM) of solvent. The predicted barrier in the gas phase increases by increasing the polarity of solvents. It was shown that the observed solvent-induced shielding variation is more strongly related to the intensity of the solvent reaction field rather than to the change of molecular geometry induced by the solvent.
(E)-Selective Synthesis of γ-Substituted-β-(Ethoxycarbonyl)Allylsilanes Utilising Ethyl 2-Diphenylphosphono-3-(Trimethylsilyl)Propionate. Improved Synthesis of 11 Membered Carbocycle by a Homo-Cope Reaction
Authors: Suzuki Hideyuki , Kuroda Chiaki
Published: December 2009

( E)-γ-Substituted-β-(ethoxycarbonyl)allylsilanes were selectively synthesised by Horner-Wadsworth-Emmons reaction utilising ethyl 2-diphenylphosphono-3-(trimethylsilyl)propionate.