1-methyl-3-(4-oxo-2-(4-(trifluoromethyl)benzyl)-4H-chromen-3-yl)-4-(4-(trifluoromethyl)phenyl)-9H-xanthen-9-one | 1233534-07-0

• 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: 1-methyl-3-(4-oxo-2-(4-(trifluoromethyl)benzyl)-4H-chromen-3-yl)-4-(4-(trifluoromethyl)phenyl)-9H-xanthen-9-one
• 英文别名: 1-Methyl-3-[4-oxo-2-[[4-(trifluoromethyl)phenyl]methyl]chromen-3-yl]-4-[4-(trifluoromethyl)phenyl]xanthen-9-one
• CAS: 1233534-07-0
• 化学式: C₃₈H₂₂F₆O₄
• 分子量: 656.581
• InChiKey: QXVYEMNCTFOEHE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.9
• 重原子数：
  48
• 可旋转键数：
  4
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  2-methyl-3-((4-(trifluoromethyl)phenyl)ethynyl)-4H-chromen-4-one 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 二甲基亚砜 为溶剂， 反应 0.17h， 以79%的产率得到1-methyl-3-(4-oxo-2-(4-(trifluoromethyl)benzyl)-4H-chromen-3-yl)-4-(4-(trifluoromethyl)phenyl)-9H-xanthen-9-one
  参考文献：
  名称：

  Efficient Construction of a 3C-Xanthone-Linked 3C-Chromone Scaffold by Novel Double Michael Additions and Cyclizations

  摘要：

  A novel base-promoted cascade reaction of 2-methyl-3-(1-alkynyl)chromones to produce a 3C-xanthone-linked 3C-chromone scaffold has been developed. This tandem process involves multiple reactions such as Michael additions/cyclizations under mild conditions without a transition metal catalyst and inert atmosphere.

  DOI：

  10.1021/ol101100d

文献信息

• Efficient Construction of a 3<i>C</i>-Xanthone-Linked 3<i>C</i>-Chromone Scaffold by Novel Double Michael Additions and Cyclizations
  作者：Fuchun Xie、Hong Chen、Youhong Hu

  DOI：10.1021/ol101100d

  日期：2010.7.2

  A novel base-promoted cascade reaction of 2-methyl-3-(1-alkynyl)chromones to produce a 3C-xanthone-linked 3C-chromone scaffold has been developed. This tandem process involves multiple reactions such as Michael additions/cyclizations under mild conditions without a transition metal catalyst and inert atmosphere.