Synthesis and Crystal Structure of Diisopropyl Genistein-7-yl Phosphate  

作　　者：陈晓岚 袁金伟 屈智博 郁章琪 屈凌波 赵玉芬 

机构地区：[1]Department of Chemistry, Zhengzhou University, Key Laboratory of Organic Chemistry and Chemical Biology [2]Chemistry and Chemical Engineering School, Henan University of Technology [3]Department of Chemistry, Xiamen University

出　　处：《Chinese Journal of Structural Chemistry》2010年第11期1676-1679,共4页结构化学（英文）

基　　金：Supported by the NNSFC (Nos. 20472076, 20732004, 20972130);Henan Academic Foundation of Science and Technology (No. 0512001400)

摘　　要：Diisopropyl genistein-7-yl phosphate （C21H23O8P, Mr = 434.11） has been synthesized by a facile phosphorylated reaction with genistein and diisopropyl phosphite, and its structure was determined by IR, NMR, HR MS and X-ray single-crystal diffraction. The crystal belongs to monoclinic, space group P21/n, with a = 9.0690（18）, b = 9.0412（18）, c = 26.544（5）, β = 99.44（3）°, V = 2147.0（7） 3, Z = 4, Dc = 1.344 Mg/m3, μ = 0.172 mm-1, F（000） = 912, the final R = 0.0545 and wR = 0.1352. In the crystal structure, the title compound is constructed by both intramolecular （O-H···O=C） and intermolecular （O-H···O=P） hydrogen bonding as well as π-π stacking interaction.Diisopropyl genistein-7-yl phosphate （C21H23O8P, Mr = 434.11） has been synthesized by a facile phosphorylated reaction with genistein and diisopropyl phosphite, and its structure was determined by IR, NMR, HR MS and X-ray single-crystal diffraction. The crystal belongs to monoclinic, space group P21/n, with a = 9.0690（18）, b = 9.0412（18）, c = 26.544（5）, β = 99.44（3）°, V = 2147.0（7） 3, Z = 4, Dc = 1.344 Mg/m3, μ = 0.172 mm-1, F（000） = 912, the final R = 0.0545 and wR = 0.1352. In the crystal structure, the title compound is constructed by both intramolecular （O-H···O=C） and intermolecular （O-H···O=P） hydrogen bonding as well as π-π stacking interaction.

关 键 词：GENISTEIN PHOSPHATE crystal structure hydrogen bonding π-π stacking 

分 类 号：O621.2[理学—有机化学]