11-(2-chlorobenzylidene)-7-(2-chlorophenyl)-8,9,10,11-tetrahydro-6H,7H-chromeno[4,3-b]chromen-6-one | 1428649-18-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮
• 英文名称: 11-(2-chlorobenzylidene)-7-(2-chlorophenyl)-8,9,10,11-tetrahydro-6H,7H-chromeno[4,3-b]chromen-6-one
• 英文别名: 7-(2-chlorophenyl)-11-[(2-chlorophenyl)methylidene]-7,8,9,10-tetrahydrochromeno[3,2-c]chromen-6-one
• CAS: 1428649-18-6
• 化学式: C₂₉H₂₀Cl₂O₃
• 分子量: 487.382
• InChiKey: FOMKWOOCYKUZRD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  34
• 可旋转键数：
  2
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-羟基香豆素 、 2,6-二(O-氯苄亚基)环己烷-1-酮 在 溶剂黄146 作用下， 反应 6.0h， 以80%的产率得到11-(2-chlorobenzylidene)-7-(2-chlorophenyl)-8,9,10,11-tetrahydro-6H,7H-chromeno[4,3-b]chromen-6-one
  参考文献：
  名称：

  Cyclization of α,α′-bis(substituted-benzylidene)cyclohexanones and 4-hydroxycoumarin: synthesis of 11-benzylidene-8,9,10,11-tetrahydro-7-phenyl-6H,7H-chromeno[4,3-b]chromen-6-ones as new pyranochromene derivatives

  摘要：

  A series of new 11-benzylidene-8,9,10,11-tetrahydro-7-phenyl-6H,7H-chromeno[4,3-b]chromen-6-ones has been synthesized through a new Michael addition domino cyclization between alpha,alpha'-bis(substituted-benzylidene)cyclohexanones and 4-hydroxycoumarin in acetic acid at reflux conditions. Very good to excellent yields of the products, operational simplicity, and simple workup are attractive features of this synthesis protocol.

  DOI：

  10.1007/s00706-012-0845-y