4-Hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)-(3-methoxy-4-phenylmethoxyphenyl)methyl]chromen-2-one | 215118-78-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 4-Hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)-(3-methoxy-4-phenylmethoxyphenyl)methyl]chromen-2-one
• CAS: 215118-78-8
• 化学式: C₃₃H₂₄O₈
• 分子量: 548.549
• InChiKey: FNURTIHLRGQEDG-UHFFFAOYSA-N

物化性质

• 沸点：
  791.1±60.0 °C(Predicted)
• 密度：
  1.441±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  41
• 可旋转键数：
  7
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  112
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  4-羟基香豆素 、 4-苄氧基-3-甲氧基苯甲醛 在 sulfated titania 作用下， 以 水 为溶剂， 反应 0.42h， 以82%的产率得到4-Hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)-(3-methoxy-4-phenylmethoxyphenyl)methyl]chromen-2-one
  参考文献：
  名称：

  Sulfated titania catalyzed water mediated efficient synthesis of dicoumarols—a green approach

  摘要：

  An efficient, mild, and environmental friendly method has been developed for the synthesis of dicoumarols in water over Lewis and Bronsted acid catalyst sulfated titania (TiO2/SO42-). The method involves the condensation of various aromatic and aliphatic aldehydes with 4-hydroxycoumarin. It affords the corresponding product in high yield with short reaction times employing a very low loading of catalyst. The catalyst was reused several times without significant change in activity. Crown Copyright (C) 2012 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.06.024

文献信息

• Bis-(Coumarin) Compounds With Anti-Inflammatory Activity
  申请人：Mercep Mladen

  公开号：US20080153872A1

  公开（公告）日：2008-06-26

  Certain bis-(coumarin) compounds as well as the products of their intramolecular cyclization including pharmaceutically acceptable salts, hydrates, solvates, clathrates, prodrugs, tautomers and stereoisomers thereof are disclosed. Certain processes and intermediates for the preparation of certain bis-(coumarin) compounds, as well as for the use of these compounds as therapeutically active agents in the prophylaxis and treatment of asthma and other inflammatory diseases and conditions in mammals, especially humans are also disclosed.
• Sulfated titania catalyzed water mediated efficient synthesis of dicoumarols—a green approach
  作者：Bikash Karmakar、Anupam Nayak、Julie Banerji

  DOI：10.1016/j.tetlet.2012.06.024

  日期：2012.8

  An efficient, mild, and environmental friendly method has been developed for the synthesis of dicoumarols in water over Lewis and Bronsted acid catalyst sulfated titania (TiO2/SO42-). The method involves the condensation of various aromatic and aliphatic aldehydes with 4-hydroxycoumarin. It affords the corresponding product in high yield with short reaction times employing a very low loading of catalyst. The catalyst was reused several times without significant change in activity. Crown Copyright (C) 2012 Published by Elsevier Ltd. All rights reserved.