7-Hydroxy-3'.4'-dioxymethylen-flavon | 70479-43-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 英文名称: 7-Hydroxy-3'.4'-dioxymethylen-flavon
• 英文别名: 7-hydroxy-3',4'-methylenedioxy-flavone；2-benzo[1,3]dioxol-5-yl-7-hydroxy-chromen-4-one；2-(1,3-Benzodioxol-5-yl)-7-hydroxychromen-4-one
• CAS: 70479-43-5
• 化学式: C₁₆H₁₀O₅
• 分子量: 282.252
• InChiKey: WTJCNOWJGPURDK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  65
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3’,4’-methylenedioxy-7-methoxyflavone 在 N-butyl-N-methylimidazolium heptachlorodialuminate 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 以72%的产率得到7-Hydroxy-3'.4'-dioxymethylen-flavon
  参考文献：
  名称：

  Cleavage of Methyl Ethers of Flavones by Chloroaluminate Ionic Liquid

  摘要：

  A new o-demethylation method of a series of mono-, di-, trimethoxy-flavones using a chloroalununate ionic liquid-[BMIM] [Al2Cl7] in dichloromethane is described. The desired products were obtained in moderate to good yields.

  DOI：

  10.1081/scc-200028625

文献信息

• Synthesis, biological evaluation and quantitative structure-activities relationship of flavonoids as vasorelaxant agents
  作者：Xiaowu Dong、Tao Liu、Jingying Yan、Peng Wu、Jing Chen、Yongzhou Hu

  DOI：10.1016/j.bmc.2008.11.052

  日期：2009.1

  A series of flavonoid derivatives were designed, synthesized. Their vasorelaxant activities were evaluated experimentally against rat aorta rings pretreated with phenylephrine (PE). Among them, 6-hydroxy-8-allyl- 4'-chloro-flavanone 8q exhibited the highest vasodilatory activity (EC50 = 4.6 mu M, E-max = 95.1%). The 3D-QSAR analysis was carried out by comparative molecular field analysis (CoMFA) method, and a statistically reliable model with good predictive power (r(2) = 0.872 and q(cv)(2) = 0.496) was established. The contour plots of CoMFA model provide a good insight into the structure-activity relationships of these compounds and may be used to design more potent flavonoids derivatives as vasorelaxant agents. (C) 2008 Elsevier Ltd. All rights reserved.
• [EN] FLAVONOID PPAR AGONISTS<br/>[FR] AGONISTES FLAVONOÏDES DE PPAR
  申请人：UNIV SYDNEY

  公开号：WO2009026657A1

  公开（公告）日：2009-03-05

  The present invention relates to PPAR agonists, and their use in therapy including the treatment of disease. In particular, the invention relates to flavonoid compounds which are PPAR-gamma agonists and/or PPAR alpha/gamma dual agonists.
• Cleavage of Methyl Ethers of Flavones by Chloroaluminate Ionic Liquid
  作者：Tao Liu、Yongzhou Hu

  DOI：10.1081/scc-200028625

  日期：2004.1

  A new o-demethylation method of a series of mono-, di-, trimethoxy-flavones using a chloroalununate ionic liquid-[BMIM] [Al2Cl7] in dichloromethane is described. The desired products were obtained in moderate to good yields.