2-[1-(2,4-dimethoxyphenyl)-9,10-dihydro-4-azaphenanthren-3-yl]benzo[f]coumarin | 1227624-24-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 萘并吡喃类
• 英文名称: 2-[1-(2,4-dimethoxyphenyl)-9,10-dihydro-4-azaphenanthren-3-yl]benzo[f]coumarin
• CAS: 1227624-24-9
• 化学式: C₃₄H₂₅NO₄
• 分子量: 511.577
• InChiKey: DNQVBIDYDXKNDA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.46
• 重原子数：
  39.0
• 可旋转键数：
  4.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  61.56
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  2-[(2,4-Dimethoxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one 、 N-<(5,6-benzocoumarin-3-yl)-carbomethyl>-pyridinium bromide 在 ammonium acetate 、 溶剂黄146 作用下， 反应 13.25h， 以59%的产率得到2-[1-(2,4-dimethoxyphenyl)-9,10-dihydro-4-azaphenanthren-3-yl]benzo[f]coumarin
  参考文献：
  名称：

  Synthesis and spectral characterization of some 3-(1-aryl-9,10-dihydro-4-azaphenanthren-3-yl)coumarins

  摘要：

  Various 3-(1-aryl-9,10-dihydro-4-azaphenanthren-9-yl)coumarins 3a-o were synthesized by reacting various 3-coumarinoyl methyl pyridinium salts 1a-c with appropriate 2-benzylidene-1-tetralone 2a-e in the presence of ammonium acetate and acetic acid under the Krohnke's reaction condition. The structures of all the synthesized compounds were established on the basis of elemental and spectral analysis.

  DOI：

  10.3998/ark.5550190.0011.223