Synthesis and Crystal Structure of 2,3,4,6-Tetra-O-acetyl-1-{2-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazole-5-thione-4-yl}-1-deoxy-β-D-glucopyranose  

Synthesis and Crystal Structure of 2,3,4,6-Tetra-O-acetyl-1-{2-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazole-5-thione-4-yl}-1-deoxy-β-D-glucopyranose

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作  者:王致峰 赵桂龙 田来进 

机构地区:[1]School of Chemistry and Chemical Engineering,Qufu Normal University [2]Tianjin Key Laboratory of Molecular Design and Drug Discovery,Tianjin Institute of Pharmaceutical Research

出  处:《Chinese Journal of Structural Chemistry》2010年第5期747-751,共5页结构化学(英文)

基  金:Supported by Scientific and Technological Support Plan by State Ministry of Science and Technology (2007BAI40B01)

摘  要:The title compound has been synthesized and its crystal structure was determined by single-crystal X-ray diffraction.The crystal is of orthorhombic system (C23H25N3O12S2,Mr=599.58),space group P212121 with a=6.2102(12),b=17.803(4),c=24.223(5),V=2678.0(9)3,Z=4,Dc=1.487 g/cm3,F(000)=1248,μ=0.268 mm-1,the final R=0.0483 and wR=0.1108 for 4174 observed reflections (I 〉 2σ(I)).The C=S bond,which parallels to the anomeric C-H,adopts α orientation relative to the anomeric position of glucopyranoside.The title compound has been synthesized and its crystal structure was determined by single-crystal X-ray diffraction.The crystal is of orthorhombic system (C23H25N3O12S2,Mr=599.58),space group P212121 with a=6.2102(12),b=17.803(4),c=24.223(5),V=2678.0(9)3,Z=4,Dc=1.487 g/cm3,F(000)=1248,μ=0.268 mm-1,the final R=0.0483 and wR=0.1108 for 4174 observed reflections (I 〉 2σ(I)).The C=S bond,which parallels to the anomeric C-H,adopts α orientation relative to the anomeric position of glucopyranoside.

关 键 词:synthesis crystal structure THIADIAZOLE glucose SGLT2 inhibitor 

分 类 号:O626[理学—有机化学]

 

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