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: Department of Chemistry, Zhengzhou University, Key Laboratory of Organic Chemistry and Chemical Biol
• 出 处: 结构化学
• 发表日期: 2010年11期
• 关键词: intramolecular intermolecular belongs genistein stacking monoclinic facile bondi

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 the structure was determined by IR, NMR, HR MS and X-ray single-crystal diffraction. 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 , D = 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.