Synthesis and Molecular Structure of 3-(p-Methoxyphenyl)-4-hydroxymethyl-6-bromo-7-hydroxycoumarin Co-crystallized with Methanol  

作　　者：蒋皓 邹昊 夏鹏 张倩 

机构地区：[1]Department of Medicinal Chemistry,School of Pharmacy, Fudan University

出　　处：《Chinese Journal of Structural Chemistry》2008年第12期1423-1426,共4页结构化学（英文）

基　　金：Supported by NNSFC (No. 30500631);Graduate Innovative Research Foundation of Fudan University

摘　　要：The title compound, C18H17BrO6 （Mr = 409.23）, was synthesized as angiogenesis inhibitor and structurally characterized by ^1H-NMR, ^13C-NMR, MS, elemental analysis and X-ray single-crystal diffraction. Structure analysis indicates that the title compound is of triclinic, space group P1^-, with a = 8.100（3）, b = 10.536（4）, c = 11.689（5）A, a = 67.405（7）, βl = 69.736（3）, γ = 88.510（5）°, V = 857.3（5） A^3, Z = 2, Dc = 1.585 g/cm^3, μ = 2.429 mm^-1, F（000） = 416, the finial R = 0.0356 and wR = 0.0929 for 2541 observed reflections. The bond lengths of C（7）-C（16） proved that the title compound possesses coumarin rather than flavone scaffold.The title compound, C18H17BrO6 （Mr = 409.23）, was synthesized as angiogenesis inhibitor and structurally characterized by ^1H-NMR, ^13C-NMR, MS, elemental analysis and X-ray single-crystal diffraction. Structure analysis indicates that the title compound is of triclinic, space group P1^-, with a = 8.100（3）, b = 10.536（4）, c = 11.689（5）A, a = 67.405（7）, βl = 69.736（3）, γ = 88.510（5）°, V = 857.3（5） A^3, Z = 2, Dc = 1.585 g/cm^3, μ = 2.429 mm^-1, F（000） = 416, the finial R = 0.0356 and wR = 0.0929 for 2541 observed reflections. The bond lengths of C（7）-C（16） proved that the title compound possesses coumarin rather than flavone scaffold.

关 键 词：COUMARIN crystal structure angiogenesis inhibitor 

分 类 号：O625.3[理学—有机化学]