bluuebunny/crossref_metadata_2025_split huggingface dataset:
ChemInform Abstract: Synthesis of Imines from Amines in Aliphatic Alcohols on Pd/ZrO2 Catalyst under Ambient Conditions.
Authors: Cui Wenjing , Zhaorigetu Bao , Jia Meilin , Ao Wulan , Zhu Huaiyong 
Published: August 2014

AbstractThe method allows the direct preparation of imines (III), (V), and (VII) from amines and aliphatic alcohols in a one‐pot procedure via the corresponding aldehydes.
ChemInform Abstract: Stereoselective Formation of (E)‐β‐Alkoxy Acrylates from Fischer Carbene Complexes and Chelated Amino Acid Ester Enolates.
Authors: Chaudhuri Rupsha , Kazmaier Uli 
Published: August 2014

AbstractThe reaction between chelated ester enolates and alkyl Fischer carbene complexes is characterized by a nucleophilic attack on the electrophilic carbene center.
ChemInform Abstract: 1‐(N‐Acylamino)alkyl Sulfones from N‐Acyl‐α‐amino Acids or N‐Alkylamides.
Authors: Adamek Jakub , Mazurkiewicz Roman , Pazdzierniok‐Holewa Agnieszka , Grymel Miroslawa , Kuznik Anna , Zielinska Katarzyna 
Published: August 2014

AbstractThe corresponding starting compounds are electrochemically prepared from N‐acyl‐amino acids or N‐alkylamides.
ChemInform Abstract: Tandem Halogenation/Michael‐Initiated Ring‐Closing Reaction of α,β‐Unsaturated Nitriles and Activated Methylene Compounds: One‐Pot Diastereoselective Synthesis of Functionalized Cyclopropanes.
Authors: Xin Xiaoqing , Zhang Qian , Liang Yongjiu , Zhang Rui , Dong Dewen 
Published: August 2014

AbstractA series of pentasubstituted cyclopropanes (III) is prepared by a NBS‐mediated reaction of esters (I) with activated methylene compounds (II).
ChemInform Abstract: Stereospecific Ni‐Catalyzed Cross‐Coupling of Potassium Alkenyltrifluoroborates with Alkyl Halides.
Authors: Molander Gary A. , Argintaru O. Andreea 
Published: August 2014

AbstractOptimized reaction conditions allow the alkenylation of alkyl halides with E‐ and Z‐alkenyltrifluoroborates as well as vinyltrifluoroborates.
ChemInform Abstract: Ruthenium‐Catalyzed Alkenylation of Azoxybenzenes with Alkenes Through ortho‐Selective C—H Activation.
Authors: Li Hongji , Xie Xiaoyu , Wang Lei 
Published: August 2014

AbstractSimple azoxybenzenes undergo highly ortho‐selective coupling reactions with different activated olefins using readily available RuCl2(C5Me5) as catalyst.
ChemInform Abstract: Thermally Robust Au99(SPh)42 Nanoclusters for Chemoselective Hydrogenation of Nitrobenzaldehyde Derivatives in Water.
Authors: Li Gao , Zeng Chenjie , Jin Rongchao 
Published: August 2014

AbstractThe synthesis of thermally robust gold nanoclusters Au99(S‐Ph)42 is reported, whereas the formula is determined by electrospray ionization and matrix‐assisted laser desorption ionization mass spectrometry in conjunction with thermogravimetric analysis.
ChemInform Abstract: Wacker‐Type Oxidation and Dehydrogenation of Terminal Olefins Using Molecular Oxygen as the Sole Oxidant Without Adding Ligand.
Authors: Wang Yu‐Fei , Gao Ya‐Ru , Mao Shuai , Zhang Yan‐Lei , Guo Dong‐Dong , Yan Zhao‐Lei , Guo Shi‐Huan , Wang Yong‐Qiang 
Published: August 2014

AbstractThe reaction proceeds with complete Markovnikov selectivity with no detectable formation of aldehydes or polymeric products.
ChemInform Abstract: Chemo‐ and Regioselective C(sp3)—H Arylation of Unactivated Allylarenes by Deprotonative Cross‐Coupling.
Authors: Hussain Nusrah , Frensch Gustavo , Zhang Jiadi , Walsh Patrick J. 
Published: August 2014

AbstractThe reaction tolerates a wide range of aromatic and heteroaromatic bromides.
ChemInform Abstract: Copper(I)‐Catalyzed Homo‐Coupling of Terminal Alkynes at Room Temperature under Solvent and Base Free Conditions Using O2 as an Oxidant.
Authors: Cheng Guolin , Zhang Hong , Cui Xiuling 
Published: August 2014

AbstractA practical, economical and green approach for the homo‐coupling of terminal alkynes under solvent and base free conditions is developed.
ChemInform Abstract: Synthesis of Naphthalene Derivatives from ortho‐Alkynylacetophenone Derivatives via Tandem in situ Incorporation of Acetal and Intramolecular Heteroalkyne Metathesis/Annulation.
Authors: Manojveer Seetharaman , Balamurugan Rengarajan 
Published: August 2014

AbstractSubstitution of the acetyl or carbonylbutyl group by a carbonylbenzyl group leads to complex reaction mixtures.
ChemInform Abstract: Hydrogen‐Bond‐Directed Formal [5 + 1] Annulations of Oxindoles with Ester‐Linked Bisenones: Facile Access to Chiral Spirooxindole δ‐Lactones.
Authors: Zhao Shuai , Lin Jun‐Bing , Zhao Yuan‐Yuan , Liang Yong‐Min , Xu Peng‐Fei 
Published: August 2014

AbstractAn asymmetric formal [5 + 1] cyclization of oxindoles and ester‐tagged bisenones is developed using a bifunctional thiourea catalyst.
ChemInform Abstract: I2‐Promoted Selective Oxidative Cross‐Coupling/Annulation of 2‐Naphthols with Methyl Ketones: A Strategy to Build Naphtho[2,1‐b]furan‐1(2H)‐ones with a Quaternary Center.
Authors: Gao Qinghe , Wu Xia , Liu Shan , Wu Anxin 
Published: August 2014

Abstract8‐Iodo, 6‐cyano‐ and 6,8‐dimethoxynaphthalen‐2‐ol as well as 1‐naphthol and quinolin‐6‐ol fail to react to the expected products.
ChemInform Abstract: Palladium‐Catalyzed Direct Arylation of Indoles with Cyclohexanones.
Authors: Chen Shanping , Liao Yunfeng , Zhao Feng , Qi Hongrui , Liu Saiwen , Deng Guo‐Jun 
Published: August 2014

AbstractThe reaction proceeds regioselectively without formation of 2‐ or N‐arylated by‐products.
ChemInform Abstract: Remote Activation of the Nucleophilicity of Isatin.
Authors: Zari Sergei , Kudrjashova Marina , Pehk Tonis , Lopp Margus , Kanger Tonis 
Published: August 2014

AbstractMichael addition of the isatin imine (I) to aliphatic 1,4‐ketoesters requires a much longer reaction time than the one to aromatic 1,4‐ketoesters.
ChemInform Abstract: Efficient Synthesis of Biscarbazoles by Palladium‐Catalyzed Twofold C—N Coupling and C—H Activation Reactions.
Authors: Hung Tran Quang , Thang Ngo Ngoc , Hoang Do Huy , Dang Tuan Thanh , Villinger Alexander , Langer Peter 
Published: August 2014

AbstractBiscarbazoles (VIII) and (X) are prepared by a Buchwald—Hartwig amination of corresponding triflates with anilines followed by a palladium‐catalyzed oxidative cyclization.
ChemInform Abstract: Microwave‐Activated Synthesis of Thiazolo[5,4‐d]thiazoles by a Condensation/Oxidation Sequence.
Authors: Dessi Alessio , Calamante Massimo , Mordini Alessandro , Zani Lorenzo , Taddei Maurizio , Reginato Gianna 
Published: August 2014

AbstractThiazolo[5,4‐d]thiazoles (III) and (V) are prepared by microwave‐assisted condensation of aromatic as well as aliphatic aldehydes with dithiooxamide followed by oxidation with chloranil.
ChemInform Abstract: Synthesis of Oxacyclic Scaffolds via Dual Ruthenium Hydride/Broensted Acid‐Catalyzed Isomerization/Cyclization of Allylic Ethers.
Authors: Ascic Erhad , Ohm Ragnhild G. , Petersen Rico , Hansen Mette R. , Hansen Casper L. , Madsen Daniel , Tanner David , Nielsen Thomas E. 
Published: August 2014

AbstractA variety of tetrahydropyranoindoles and related scaffolds are synthesized from allylic ethers via an isomerization/oxocarbenium cyclization sequence.
ChemInform Abstract: Green Approach to the Design of Functionalized Medicinally Privileged 4‐Aryl‐1,4‐dihydropyrano[2,3‐c]‐pyrazole‐5‐carbonitrile Scaffold.
Authors: Ilovaisky Alexey I. , Medvedev Michael G. , Merkulova Valentina M. , Elinson Michail N. , Nikishin Gennady I. 
Published: August 2014

AbstractOptimum reaction conditions are examined for the three‐component reaction of aromatic aldehydes, malononitrile and 3‐methyl‐2‐pyrazoline‐5‐one in aqueous solution.
ChemInform Abstract: Three‐Step Synthesis of Novel 2‐Aryl‐3‐benzamidobenzofurans: Regiospecific Reactions Catalyzed by Molybdate Sulfuric Acid.
Authors: Hashemi Fatemeh , Karami Bahador , Khodabakhshi Saeed 
Published: August 2014

AbstractThe molybdate sulfuric acid catalyzed reaction of 2‐arylglyoxals with benzamide and aromatic alcohols provides access to 2‐aryl‐3‐benzamidobenzofurans in high yield.
ChemInform Abstract: Microwave Assisted Base Dependent Regioselective Synthesis of Partially Reduced Chromenes, Isochromenes and Phenanthrenes.
Authors: Yadav Pratik , Singh Surjeet , Sahu Satya Narayan , Hussain Firasat , Pratap Ramendra 
Published: August 2014

AbstractThe microwave‐assisted reaction of chromenes (I) with ketones (II) in the presence of KOH as a base leads to isochromenes (III), whilst phenanthrenes (IV) are obtained using NaH as a base.
ChemInform Abstract: Silica Sulfuric Acid‐Catalyzed Five‐Component Efficient Synthesis of Five‐Substituted Tetrahydropyridines.
Authors: Zhang Xiao‐xiao , Wan Yu , Pang Li‐ling , Wang Hai‐ying , Zhao Ling‐ling , Wang Chao , Hang Shu Ying , Liu Gui Xiang , Chen Liang‐Feng , Wu Hui 
Published: August 2014

Abstract41 Title compounds of type (IV) are prepared by this new highly atom‐economic one‐pot procedure.
ChemInform Abstract: Copper‐Catalyzed Tandem Oxidative Cyclization of Cinnamamides with Benzyl Hydrocarbons Through Cross‐Dehydrogenative Coupling.
Authors: Zhou Shi‐Liu , Guo Li‐Na , Wang Shun , Duan Xin‐Hua 
Published: August 2014

AbstractThe Cu‐catalyzed tandem oxidative cyclization of cinnamides (I) with benzyl hydrocarbons (II) through the direct cross‐dehydrogenative coupling of sp3 and sp2 bonds is described.
ChemInform Abstract: One‐Pot Synthesis of Highly Fluorescent Polycyclic Benzimidazole Derivatives.
Authors: Manna Susanta Kumar , Mondal Suresh Kumar , Ahmed Atiur , Mandal Arabinda , Jana Atanu , Ikbal Mohammed , Samanta Shubhankar , Ray Jayanta K. 
Published: August 2014

AbstractFluorescence properties of the formed benzimidazoles in different solvents and at different pH are investigated.
ChemInform Abstract: Deep Eutectic Solvent Promoted Efficient and Environmentally Benign Four‐Component Domino Protocol for Synthesis of Spirooxindoles.
Authors: Rajawat Anshu , Khandelwal Sarita , Kumar Mahendra 
Published: August 2014

AbstractCyclic diamides and diketones react with isatins, phthalic anhydride, and hydrazine hydrate in a deep eutectic solvent to produce spirooxindole derivatives.
ChemInform Abstract: One‐Pot Synthesis of (1,2,3‐Triazolyl)methyl 3,4‐Dihydro‐2‐oxo‐1H‐pyrimidine‐5‐carboxylates as Potentially Active Antimicrobial Agents.
Authors: Dabiri Minoo , Salehi Peyman , Bahramnejad Mahboubeh , Koohshari Majid , Aliahmadi Atousa 
Published: August 2014

AbstractA simple and efficient one‐pot four‐component procedure for the synthesis of a variety of the title pyrimidine carboxylates (V) (14 examples) is developed.
ChemInform Abstract: Heterocyclization of Enediynes Promoted by Sodium Azide: A Case of Ambiguity of X‐Ray Data and Structure Revision.
Authors: Gulevskaya Anna V. , Tyaglivy Alexander S. , Pozharskii Alexander F. , Nelina‐Nemtseva Julia I. , Steglenko Dmitry V. 
Published: August 2014

AbstractThis publication constitutes the careful revision of a previous investigation revealing that [1,2,3]triazolo[1,5‐a]pyridines and not 1H‐benzotriazoles are obtained by the applied methodology.
ChemInform Abstract: A Convenient Synthesis and Biological Activity of Novel Pyrido[4,3‐d]pyrimidin‐4(3H)‐ones.
Authors: Ren Qingyun , Shi YanXia , Gu Yucheng , Li Baoju , He Hongwu 
Published: August 2014

AbstractAn efficient and convenient method for the synthesis of the title compounds (IV) (15 examples) via tandem aza‐Wittig and annulation reactions of iminophosphoranes (I), aryl isocyanates, and amines is developed.
ChemInform Abstract: A Convenient One‐Pot Three‐Component Approach for Regioselective Synthesis of Novel Substituted Pyrazolo[1,5‐a]pyrimidines Using Fe+3‐Montmorillonite as Efficient Catalyst.
Authors: Hossein nia Roghayeh , Mamaghani Manouchehr , Shirini Farhad , Tabatabaeian Khalil 
Published: August 2014

Abstractusing ultrasonic irradiation or conventional thermal conditions
ChemInform Abstract: Design, Synthesis and Biological Evaluation of Novel Spiro[indole‐pyridothiazine] Analogues as Antiproliferative Agents.
Authors: Arya Kapil , Tomar Pooja , Singh Jyoti 
Published: August 2014

AbstractA small library of novel spiro[indole‐pyridothiazine] derivatives (IV) is synthesized via a three‐component reaction under ultrasound irradiation conditions.
ChemInform Abstract: Iodine‐Catalyzed Synthesis of Spiro[1,3,4‐benzotriazepine‐2,3′‐indole]‐2′,5(1H,1′H)‐diones under Mild Conditions.
Authors: Alizadeh Abdolali , Mokhtari Javad 
Published: August 2014

AbstractAn efficient and economical method for the synthesis of the title compounds (III) from 2‐aminobenzohydrazide (II) and isatins (I) is developed.
ChemInform Abstract: Palladium‐Catalyzed C—H Fluorosilylation of 2‐Phenylpyridines: Synthesis of Silafluorene Equivalents.
Authors: Xiao Qing , Meng Xiangtai , Kanai Motomu , Kuninobu Yoichiro 
Published: August 2014

AbstractRegioselective C‐H fluorosilylation of 2‐phenylpyridines and related compounds affords silafluorene equivalents, which comprise a pentacoordinated silicon atom through an intramolecular Lewis acid‐base interaction between the fluorosilyl and pyridyl groups, due to the high Lewis acidity of the fluorinated silicon atom.
ChemInform Abstract: PdII‐Catalyzed Mild C—H ortho Arylation and Intramolecular Amination Oriented by a Phosphinamide Group.
Authors: Guan Jing , Wu Guo‐Jie , Han Fu‐She 
Published: August 2014

AbstractA novel method using phosphinamides as directing groups for the direct ortho‐arylation with arylboronic acids to produce mixtures of mono‐ and diarylated products is presented.
ChemInform Abstract: New Bisabolane Sesquiterpenes from the Rhizomes of Curcuma xanthorrhiza Roxb. and Their Inhibitory Effects on UVB‐Induced MMP‐1 Expression in Human Keratinocytes.
Authors: Park Ji‐Hae , Jung Ye‐Jin , Antar Aziz Mohamed Mohamed , Hoon Lee Tae , Lee Chang‐Ho , Han Daeseok , Song Myung‐Chong , Kim Jiyoung , Baek Nam‐In 
Published: August 2014

AbstractTwo new bisabolane sesquiterpenes (I), and (II) are isolated along with five known ones from the rhizomes of Curcuma xanthorrhiza ROXB.
ChemInform Abstract: A New Lathyrane Diterpenoid from the Whole Plant of Euphorbia altotibetica.
Authors: Zhang Zhan‐Xin , Qi Feng‐Ming , Li Hui‐Hong , Dong Le‐Le , Hai Yang , Fan Gai‐Xia , Fei Dong‐Qing 
Published: August 2014

AbstractThe new lathyrane diterpenoid (I) shows moderate activity against the cancer cell line K562.
ChemInform Abstract: An Air‐ and Water‐Stable Iodonium Salt Promoter for Facile Thioglycoside Activation.
Authors: Chu An‐Hsiang Adam , Minciunescu Andrei , Montanari Vittorio , Kumar Krishna , Bennett Clay S. 
Published: August 2014

AbstractIt is demonstrated that 2,2,2‐trifluoroethyl substituted iodonium salt promotes glycosylations at room temperature with both armed and disarmed thioglycosides as well as sensitive deoxy‐sugar donors.
ChemInform Abstract: Stereoselective Synthesis of the CDE Ring System of Antitumor Saponin Scillascilloside E‐1.
Authors: Akahori Yoshihiro , Yamakoshi Hiroyuki , Hashimoto Shunichi , Nakamura Seiichi 
Published: August 2014

AbstractThe tricyclic ring portion (I) of the eucosterol oligoglycoside scillascilloside E‐1 is synthesized via an Ireland—Claisen rearrangement and an intramolecular nitrile oxide cycloaddition.
ChemInform Abstract: Catalytic Enantioselective and Divergent Total Synthesis of (+)‐10‐Oxocylindrocarpidine, (+)‐Cylindrocarpidine, (‐)‐N‐Acetylcylindrocarpinol, and (+)‐Aspidospermine.
Authors: Shen Xiao‐Lei , Zhao Rui‐Rui , Mo Ming‐Jie , Peng Fang‐Zhi , Zhang Hong‐Bin , Shao Zhi‐Hui 
Published: August 2014

AbstractAll target compounds are synthesized in 11 steps starting with a common precursor.
ChemInform Abstract: Total Synthesis of 8,14‐Dihydromorphinandienone Alkaloids.
Authors: Ghavimi Bahman , Magnus Philip 
Published: August 2014

AbstractThe presented strategy offers access to the racemic mixture (Ia) of isosinomenine and norisosinomenine as well as the racemic mixture (Ib) of 8,14‐dihydrosalutaridine and 8,14‐dihydronorsalutaridine.
ChemInform Abstract: Enzyme‐Promoted Regioselective Coupling Oligomerization of Isorhapontigenin Towards the First Synthesis of (.+‐.)‐Gnetulin.
Authors: Li Wenling , Yang Shixia , Lv Teng , Yang Yadong 
Published: August 2014

AbstractThe preparation of (.+‐.)‐gnetulin (I) and an unnatural analogue (II) of (.+‐.)‐gnemonol M is reported.
ChemInform Abstract: 3‐Oxyanthranilic Acid Derivatives from Actinomadura sp. BCC27169.
Authors: Intaraudom Chakapong , Dramae Aibrohim , Supothina Sumalee , Komwijit Somjit , Pittayakhajonwut Pattama 
Published: August 2014

AbstractCompounds (IIa) and (IVb) exhibit antitubercular activity, (IIa) also shows cytotoxicity against KB cells.
ChemInform Abstract: Omaezallene from Red Alga Laurencia sp.: Structure Elucidation, Total Synthesis, and Antifouling Activity.
Authors: Matsuda Fuyuhiko , et al. et al. 
Published: August 2014

AbstractOmaezallene (Ia), (12Z)‐omaezallene (Ib), and dihydroomaezallene (Ic) are isolated from red alga Laurencia sp.
ChemInform Abstract: Mossbauer Studies of the Peculiar Magnetism in Parent Compounds of the Iron‐Based Superconductors
Authors: Jasek A. K. , Komedera K. , Blachowski A. , Ruebenbauer K. , Zukrowski J. , Bukowski Z. , Karpinski J. 
Published: August 2014

AbstractReview: 23 refs.
In Vitro Antiamoebic Activity Evaluation and Docking Studies of Metronidazole–Triazole Hybrids
Authors: Negi Beena , Raj K. Kranthi , Siddiqui Shadab Miyan , Ramachandran Dittakavi , Azam Amir , Rawat Diwan S. 
Published: August 2014

AbstractAn in‐house database of 520 compounds was docked against Entamoeba histolytica thioredoxin reductase (EhTrR), a promising target for the treatment of amoebiasis. Amongst these, some metronidazole (MTZ)–triazole hybrids were ranked high, with docking scores from −10.23 to −7.56. Studies of the binding orientations and conformations show that the head groups of MTZ–triazole hybrids interact with the arginine residues within the binding pocket of EhTrR, making it clear that such is the optimal and most reliable orientation for this class of compounds. The top‐ten MTZ–triazole hybrids were then selected for evaluation of their activity against the HM1:IMSS strain of amoeba. The most active compound, 2‐pyridyl‐(1,2,3‐triazolyl)metronidazole 10, with an IC50 value of 8.4 nM, was significantly more active than the standard drug MTZ alone. Docking studies revealed that compound 10 may act as an EhTrR inhibitor with activity in the nanomolar range and satisfactory ADME properties; it is a suitable candidate to be carried forward as a potential lead in the discovery of drugs to combat amoebiasis.
Determination of Solubility Parameters of Ionic Liquids and Ionic Liquid/Solvent Mixtures from Intrinsic Viscosity
Authors: Weerachanchai Piyarat , Wong Yuewen , Lim Kok Hwa , Tan Timothy Thatt Yang , Lee Jong‐Min 
Published: August 2014

AbstractThe total and partial solubility parameters (dispersion, polar and hydrogen‐bonding solubility parameters) of ten ionic liquids were determined. Intrinsic viscosity approaches were used that encompassed a one‐dimensional method (1D‐Method), and two different three‐dimensional methods (3D‐Method1 and 3D‐Method2). The effect of solvent type, the dimethylacetamide (DMA) fraction in the ionic liquid, and dissolution temperature on solubility parameters were also investigated. For all types of effect, both the 1D‐Method and 3D‐Method2 present the same trend in the total solubility parameter. The partial solubility parameters are influenced by the cation and anion of the ionic liquid. Considering the effect on partial solubility parameters of the solvent type in the ionic liquid, it was observed that in both 3D methods, the dispersion and polar parameters of a 1‐ethyl‐3‐methylimidazolium acetate/solvent (60:40 vol %) mixture tend to increase as the total solubility parameter of the solvent increases.
Well‐Aligned Quaternary Cu2CoSnS4 Single‐Crystalline Nanowires as a Potential Low‐Cost Solar Cell Material
Authors: Shi Liang , Li Yanan , Zhu Haojun , Li Quan 
Published: August 2014

AbstractQuaternary semiconductor Cu2CoSnS4 single‐crystalline nanowires arrays have been prepared through a solvothermal synthetic route by using anodic aluminum oxide as a hard template. The as‐prepared Cu2CoSnS4 nanowires are uniform with a [112] growth direction. An optimal solvent of diethylenetriamine is critical for the formation of single‐crystalline Cu2CoSnS4 nanowires. The structure, morphology, composition, and optical absorption properties of the as‐prepared Cu2CoSnS4 nanowires were characterized by using X‐ray powder diffraction, scanning electron microscopy, transmission electron microscopy, energy‐dispersive X‐ray spectroscopy, and UV/Vis spectroscopy. A thin film prepared from Cu2CoSnS4 single‐crystalline nanowires displayed a clear photoelectric response, which suggested its potential application in photovoltaic devices.
Thiocyanate‐Free Ruthenium(II) Sensitizers for Dye‐Sensitized Solar Cells Based on the Cobalt Redox Couple
Authors: Wu Kuan‐Lin , Clifford John N. , Wang Sheng‐Wei , Aswani Yella , Palomares Emilio , Lobello Maria Grazia , Mosconi Edoardo , De Angelis Filippo , Ku Wan‐Ping , Chi Yun , Nazeeruddin Mohammad K. , Grätzel Michael 
Published: August 2014

AbstractTwo thiocyanate‐free ruthenium(II) sensitizers, TFRS‐41 and TFRS‐42, with distinctive dialkoxyphenyl thienyl substituents were successfully prepared and tested for potential applications in making dye‐sensitized solar cells (DSCs). Subsequent device fabrication was conducted by using a [Co(bpy)3]2+/3+‐based (bpy=2,2′‐bipyridine) electrolyte, for which the best performance data, namely, JSC=13.11 mA cm−2, VOC=862 mV, fill factor=0.771, and η=8.71 %, were recorded for the sensitizer TFRS‐42 with a 2,6‐dialkoxyphenyl substituent under AM 1.5G irradiation. The markedly higher Voc value was confirmed by the longer electron lifetime revealed in transient photovoltage (TPV) measurements versus the TFRS‐1 sensitizer. In addition, DFT calculation and detailed first‐principles computational analysis were conducted to provide a rationale for the observed trends in their photovoltaic performances and electron lifetimes, with reference to different performances exhibited by three thiocyanate‐free sensitizers, TFRS‐1, TFRS‐41 and TFRS‐42, versus Z907 reference. Through the proper control of peripheral substituents, the thiocyanate‐free ruthenium(II)‐based DSC sensitizers can positively influence the performances of DSCs, with better light‐harvesting capability and suppressed charge recombination, for DSC cells fabricated by using a [Co(bpy)3]2+/3+‐based electrolyte.