Synthesis and Crystal Structure of 2,3,4,6-tetra-O-Acetyl-1-{4-chloro-3-[1-(4-ethoxyphenyl)-1-methylethyl]phenyl}-1-deoxy-β-D-glucopyranose

被引:2
作者
史永恒 [1 ,2 ]
赵桂龙 [1 ]
邵华 [1 ]
王玉丽 [1 ]
刘巍 [1 ]
汤立达 [1 ,2 ]
机构
[1] Tianjin Key Laboratory of Molecular Design and Drug Discovery,Tianjin Institute of Pharmaceutical Research
[2] School of Pharmaceutical Science,Tianjin Medical University
关键词
synthesis; crystal structure; C-glucoside; SGLT2; inhibitor; gem-dimethyl;
D O I
暂无
中图分类号
O621.3 [有机合成化学];
学科分类号
070303 ; 081704 ;
摘要
The title compound was synthesized and its crystal structure was determined by single-crystal X-ray diffraction.The crystal is of monoclinic system(C31H37ClO10,Mr = 605.06),space group P21 with a = 11.882(5),b = 10.106(5),c = 13.816(6),V = 1545.9(12)3,Z = 2,Dc = 1.300 g/cm3,F(000) = 640,μ = 0.179 mm-1,the final R = 0.0430 and wR = 0.0595 for 4960 observed reflections(I > 2σ(I)).The title compound was confirmed to be a β-anomer by single-crystal X-ray diffraction and 1H NMR.The proximal benzene ring is nearly orthogonal to the glucopyranoside ring,and the two benzene rings are also almost orthogonal to each other.Four non-classical intermolecular hydrogen bonds observed in the crystal lattice help to stabilize the crystal.
引用
收藏
页码:690 / 694
页数:5
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