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Chinese Chemical Letters 2012年第4期23卷 411-414页

作者： Afaf M.Abdel Hameed Chemistry Department Faculty of ScienceMinia University

Azidation of aminothiophene derivative 1 afforded the corresponding azido derivative *** latter reacted with triphenylphosphine to afford iminophosphorane derivatives *** 3 with phenylisocyanate gave the highly reactive carbodiimide intermediate 4,which was reacted with different nitrones to afford new l,2,4-oxadiazolidin-5-ylidene-aminothiophenes 5a-c. Treatment of 4 with absolute EtOH at room temperature gave methyleneamino-5-（methylthio）thiophene 7,（methylthio）-3-（3- phenylureidothiophene）-2-carboxylate 8 or thienopyrimidine 9 and 10 at refluxing *** reaction of carbodiimide intermediate 4 with different secondary amines gave the new thienopyrimidines 11a-c.

关键词： Carbodiimide Cycloaddition 1 2 4-Oxadiazolidin-5-ylideneaminothiophene derivatives Thienopynmidine aza-wittig reaction

Efficient Synthesis of 2-Substituted Quinolino[7',8':5,6]pyrano-[2,3-d]pyrimidin-4(3H)-ones via Tandem aza-wittig reaction

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Chemical Research in Chinese Universities 2009年第6期25卷 866-869页

作者： FANG Zheng-dong WANG Guo-hong WANG Dun-jia College of Chemistry and Environmental Engineering Hubei Normal University Huangshi 435002 R R. China

An efficient method is described for the synthesis of 2-substituted quinolino[7＇,8＇：5~6]pyrano[2,3-d] pyrimidin-4（3H）-ones（6） via a tandem aza-wittig annulation process. The iminophosphorane（3） reacted with aromatic isocyanates, followed by heterocyclization on the addition of secondary amines, phenols or alcohols to give the corresponding guanidine intermediates（5）, which were cyclized in the presence of a catalytic amount of a base to tetracyclic compounds 6 in good yields. The corresponding carbodiimide（4） and guanidine-type intermediate compounds 5 need not be isolated.

关键词： Quinolinopyran Pyranopyrimidin-4(3H)-one aza-wittig reaction

Efficient Synthesis,Crystal Structure and Antibacterial Activity of Two Novel Thieno[2,3-d]pyrimidin-4(3H)-one Derivatives

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Chinese Journal of Structural Chemistry 2015年第5期34卷 673-680页

作者： LI Rong-Kun YANG Quan-Li HUANG Nian-Yu CHEN Hong LIU Ming-Guo Hubei Key Laboratory of Natural Products Research and Development College of Biological and Pharmaceutical SciencesChina Three Gorges University

Two new thieno[2,3-d]pyrimidin-4（3H）-one derivatives,C24H22 Cl N3O2S（5a） and C25H25N3O2S（5b）,have been synthesized via a tandem aza-wittig *** tandem reaction has many attractive aspects such as easily accessible and versatile starting materials,mild conditions and high *** compounds have been characterized by elemental analysis,HR-MS,IR,NMR spectra and X-ray single-crystal *** 5a crystallizes in monoclinic,space group P21/c with a = 9.986（3）,b = 14.263（4）,c = 15.530（5）A,β = 93.806（5）o,V = 2207.1（11） A^3,Mr = 451.96,Z = 4,Dc = 1.360 g/cm3,F（000） = 944,μ = 0.294 mm-1,Mo Kα radiation（λ = 0.71073 A）,the final R = 0.0444 and w R = 0.1219 for 3407 observed reflections with I 〉 2σ（I）.Compound 5bcrystallizes in triclinic,space group P1 with a = 8.974（4）,b = 10.766（5）,c = 12.260（6） A,β = 93.047（7）o,V = 1122.1（9） A^3,Mr = 431.54,Z = 2,Dc = 1.277 g/cm3,F（000） = 456,μ = 0.170 mm-1,Mo Kα radiation（λ = 0.71073 A）,the final R = 0.0378 and w R = 0.1072 for 3806 observed reflections with I 〉 2σ（I）.The preliminary antibacterial activities of 5a and 5b were *** 5a showed 71.3% and 79.2% in vitro inhibition against Fusarium oxysporium and Rhizoctonia solani,*** 5b showed 75.3% in vitro inhibition against Rhizoctonia solani.

关键词： crystal structure thieno[2 3-d]pyrimidinone aza-wittig reaction synthesis antibacterial activity

Synthesis and Crystal Structure of 3-Benzyl-5-cyclohexylamino-6-phenyl-3,6-dihydro-1,2,3-triazolo[4,5-d]pyrimidin-7-one

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Chinese Journal of Structural Chemistry 2005年第4期24卷 439-443页

作者： ZHAOJun-Feng WANGCheng-Gang DINGMing-Wu KeyLaboratoryofPesticide＆ChemicalBiology MinistryofEducationCollegeofChemistryCentralChinaNormalUniversityWuhan430079China

The title compound 3-benzyl-5-cyclohexylamino-6-phenyl-3,6-dihydro-1,2,3- triazolo[4,5-d]pyrimidin-7-one (C23H24N6O, Mr = 400.48) has been synthesized by means of tandem aza-wittig reaction, and its crystal structure was determined by single-crystal X-ray diffraction. The crystal belongs to monoclinic, space group P21/n with a = 6.5550(6), b = 10.3711(10), c = 31.265(3) ?, β = 93.827(2)o,V = 2120.8(4) ?3, Z = 4, Dc = 1.254 g/cm3, S = 1.025, μ(MoKa) = 0.081 mm-1, F(000) = 848, R = 0.0576 and wR = 0.1368. X-ray analysis reveals that all ring atoms in the triazolopyrimidinone moiety are almost coplanar and the cyclohexyl ring adopts a chair confor- mation.

关键词： crystal structure 3,6-dihydro-1,2,3-triazolo[4,5-d]pyrimidin-7-one aza-wittig reaction synthesis

Synthesis and Crystal Structure of Ethyl 3-(4-Chlorophenyl)-3,4-dihydro-6-methyl-4-oxo-2-(pyrrolidin-1-yl)furo[2,3-d]pyrimidine-5-carboxylate

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Chinese Journal of Structural Chemistry 2009年第6期28卷 689-692页

作者：胡扬根徐靖丁明武 Department of Medicinal Chemistry Yunyang Medical College Key Laboratory of Pesticide & Chemical Biology Ministry of Education College of Chemistry Central China Normal University

The crystal structure of the title compound ethyl 3-（4-chlorophenyl）-3,4-dihydro-6- methyl-4-oxo-2-（pyrrolidin-1-yl）furo[2,3-d]pyrimidine-5-carboxylate （C20H20ClN3O4, Mr= 401.84） has been prepared and determined by single-crystal X-ray diffraction. The crystal is of monoclinic, space group P21/n with a = 20.6215（9）, b = 8.5311（4）, c = 21.6886（9） A^°, β = 91.607（1）°, V = 3814.0（3）A^°^3, Z = 8, Dc = 1.400 g/cm^3, F（000） = 1680, μ = 0.233 mm^-1, R = 0.0718 and wR = 0.1545 for 6717 observed reflections with I 〉 2σ（I）. X-ray diffraction analysis reveals two crystallographically independent molecules in the asymmetric unit.

关键词： crystal structure ethyl 3-(4-ehlorophenyl)-3,4-dihydro-6-methyl-4-oxo-2- (pyrrolidin-1-yl)furo[2,3-d]pyrimidine-5-earboxylate aza-wittig reaction synthesis

A Selective Synthesis of 2-Alkylamino-5, 6, 7, 8-tetrahydro-benzothieno[2, 3-d]pyrimidin-4(3H)-ones

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Chinese Chemical Letters 2005年第2期16卷 189-192页

作者： MingWuDING RuiJunXU JingXU YunFengCHEN KeyLaboratoryofPesticide＆ChemicalBiology MinistryofEducationCollegeofChemistryCentralChinaNormalUniversityWuhan430079

Alkylamino-5, 6, 7, 8-tetrahydrobenzothieno [2, 3-d] pyrimidin-4(3H)-ones 7 weresynthesized by a new selective synthetic method, which includes aza-wittig reaction of imino-phosphorane 4 with aromatic isocynate to giv... 详细信息

关键词： Benzothieno[2 3-d]pyrimidin-4(3H)-ones aza-wittig reaction iminophosphorane,carbodiimide synthesis.

Efficient Synthesis of 3,5,6,8-Tetrahydro-4H-thiopyrano[4′,3′:4,5]· thieno[2,3-d]pyrimidin-4-ones via an Iminophosphorane

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Chemical Research in Chinese Universities 2010年第1期26卷 60-65页

作者： LI Wen-jing LIU Min FENG Ling-ling DING Ming-wu Key Laboratory of Pesticide ＆ Chemical Biology of Ministry of Education Central China Normal University Wuhan 430079 P. R. China

3,5,6,8-Tetrahydro-4H-thiopyrano[4＇,3＇：4,5]thieno[2,3-d]pyrimidin-4-ones（7） were synthesized via the base catalytic reactions of amines or phenols with carbodiimides（5）, which were obtained from the aza-wittig ... 详细信息

关键词： 3,5,6,8-Tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one aza-wittig reaction Carbodii- mide Isocyanate

Synthesis, Crystal Structure and Theoretical Calculations of N-Benzyl-1-(5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl)cyclopentanamine

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Chinese Journal of Structural Chemistry 2018年第5期37卷 679-692页

作者： ALI Ramazania FATEMEH Zeinali Nasrabadi YOUNES Hanifehpour SANG WOO Jooc MASOOME Sheikhi KATARZYNA Slepokura TADEUSZ Lis FARIDEH Gouranlou Department of Chemistry University of Zanjan PO Box 45195-313 Zanjan Iran Department of Chemistry Faculty of Valiasr Tehran Branch Technical and Vocational University Tehran Iran School of Mechanical Engineering Yeungnam University Gyeongsan 712- 749 Republic of Korea Young Researchers and Elite Club Gorgan Branch Islamic Azad University Gorgan Iran Faculty of Chemistry University of Wroclaw 14 Joliot-Curie St. 50-383 Wroclaw Poland Department of Biosctence and Biotechnology Malek Ashtar University of Technology Tehran Iran

N-benzyl-1-（5-（3-chlorophenyl）-1,3,4-oxadiazol-2-yl）cyclopentanamine was synthesized via one-pot reaction of appropriate benzylamine, cyclopentanone,（N-isocyanimino）triphenylphosphorane and m-chlorobenzoic acid. The quantum theoretical calculations for crystal structure were performed by density functional theory（DFT/B3LYP/6-311＋G＊）. From the optimized structure, geometric parameters were obtained and experimental measurements were compared with the calculated data. Frontier molecular orbitals（FMOs）, total density of states（DOS）, molecular electrostatic potential（MEP）, molecular properties, natural charges, NMR parameters and NBO analysis for the product were investigated by theoretical calculations.

关键词： N-isocyaniminotriphenylphosphorane cyclopentanone m-chlorobenzoic acid 1 3 4-oxadiazole aza-wittig reaction DFT NBO analysis

A Solution-Phase Parallel Synthesis of 5-Substituted 3,6-Dihydro-7H-1,2,3-triazolo[4,5-dJpyrimidin-7-ones

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Chinese Journal of Chemistry 2011年第5期29卷 991-994页

作者：孙绍发陈莉杨绪红 Department of Chemistry and Life Science Xianning College Xianning Hubei 437000 China

5-Substituted 7H-1,2,3-triazolo[4,5-d]pyrimidin-7-ones （4） were rapidly prepared by a solution-phase parallel synthetic method, which includes aza-wittig reaction of iminophosphorane （1） with phenyl isocynate to give car- bodiimide （2） and subsequent reaction of 2 with various amine and alcohols in the presence of catalytic amount of sodium alkoxide in a parallel fashion.

关键词： aza-wittig reaction triazolo[4,5-d]pyrimidin-7-one parallel synthesis isocyanate

Efficient Synthesis of 3,5,6,7-Tetrahydro-4H-cyclopenta [4,5] thieno [2,3-d] Pyrimidin-4-ones

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Chemical Research in Chinese Universities 2008年第4期24卷 437-440页

作者： LIU Ming-guo ZHONG Ying DING Ming-wu Key Laboratory of Pesticide ＆ Chemical Biology of Ministry of Education Central China Normal University Wuhan 430079 P. R. China Hubei Key Laboratory of Natural Products Research and Development China Three Gorges University Yichang 443002 P. R. China

The title compounds 3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-ones（6） were synthesized by base catalytic reactions of secondary amines with carbodiimides 4, which were obtained from the aza-Witti... 详细信息

关键词： Cyclopentathieno[2,3-d]pyrimidin-4-one aza-wittig reaction Carbodiimide Isocyanate