3-(4-Hydroxyphenyl)-7-[oxido(dipentoxy)phosphaniumyl]oxychromen-4-one | 1352031-09-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 异黄酮类化合物
• 英文名称: 3-(4-Hydroxyphenyl)-7-[oxido(dipentoxy)phosphaniumyl]oxychromen-4-one
• 英文别名: 3-(4-hydroxyphenyl)-7-[oxido(dipentoxy)phosphaniumyl]oxychromen-4-one
• CAS: 1352031-09-4
• 化学式: C₂₅H₃₁O₇P
• 分子量: 474.491
• InChiKey: RBQUCTIQZFJBRV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  33
• 可旋转键数：
  13
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  97.3
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  phosphonic acid dipentyl ester 、 大豆甙元 在 三乙胺 作用下， 以 四氯化碳 、 N,N-二甲基甲酰胺 为溶剂， 以83%的产率得到3-(4-Hydroxyphenyl)-7-[oxido(dipentoxy)phosphaniumyl]oxychromen-4-one
  参考文献：
  名称：

  Inclusion complexes of phosphorylated daidzein derivatives with β-cyclodextrin: Preparation and inclusion behavior study

  摘要：

  In the present work the feasibility of beta-cyclodextrin in complexation was explored, as a tool for improving the solubility and biological ability of daidzein derivatives. A series of phosphorylated daidzein derivatives featuring different chain lengths were synthesized through a modified Atherton-Todd reaction and their inclusion complexes with beta CD were prepared by coprecipitation method. The inclusion complexation behavior was studied by fluorescence, UV, FT-IR, MS and (1)H NMR. The results showed that only phosphorylated daidzein derivative carrying small substituent group ((C(2)H(5)O)(2)P=O) entered the cavity of beta CD and formed 1:1 inclusion complex. The formation constant was 175 (mol/L)(-1). Crown Copyright (C) 2011 Published by Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2011.10.014

文献信息

• Inclusion complexes of phosphorylated daidzein derivatives with β-cyclodextrin: Preparation and inclusion behavior study
  作者：Yongmei Xiao、Liangru Yang、Pu Mao、Jinwei Yuan、Yuxia Deng、Lingbo Qu

  DOI：10.1016/j.saa.2011.10.014

  日期：2012.1

  In the present work the feasibility of beta-cyclodextrin in complexation was explored, as a tool for improving the solubility and biological ability of daidzein derivatives. A series of phosphorylated daidzein derivatives featuring different chain lengths were synthesized through a modified Atherton-Todd reaction and their inclusion complexes with beta CD were prepared by coprecipitation method. The inclusion complexation behavior was studied by fluorescence, UV, FT-IR, MS and (1)H NMR. The results showed that only phosphorylated daidzein derivative carrying small substituent group ((C(2)H(5)O)(2)P=O) entered the cavity of beta CD and formed 1:1 inclusion complex. The formation constant was 175 (mol/L)(-1). Crown Copyright (C) 2011 Published by Elsevier B.V. All rights reserved.