7-(dimethylamino)-3-phenyl-2-phenylchromeno[4,3-b]pyrrol-4(1H)-one | 1439370-59-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 7-(dimethylamino)-3-phenyl-2-phenylchromeno[4,3-b]pyrrol-4(1H)-one
• 英文别名: 7-(dimethylamino)-2,3-diphenyl-1H-chromeno[4,3-b]pyrrol-4-one
• CAS: 1439370-59-8
• 化学式: C₂₅H₂₀N₂O₂
• 分子量: 380.446
• InChiKey: LBKNGKSOXAPWLV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  29
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  45.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  7-(dimethylamino)-3-phenyl-2-phenylchromeno[4,3-b]pyrrol-4(1H)-one 在 air 作用下， 以 二氯甲烷 为溶剂， 反应 0.17h， 以95%的产率得到7-(dimethylamino)-3-hydroxy-2,3-diphenyl-3,3a-dihydrochromeno[4,3-b]pyrrol-4(9bH)-one
  参考文献：
  名称：

  Synthesis of Coumarin/Pyrrole-Fused Heterocycles and Their Photochemical and Redox-Switching Properties

  摘要：

  Two coumarin/pyrrole-fused heterocycles were synthesized to investigate their photochemical and redox-switching properties. Photooxidation of the colorless diphenyl-substituted pyrrolocoumarin resulted in a distinct change to red and a sharp decrease in fluorescence Intensity. The photooxidized product can be swiftly reverted to the original form by NaCNBH3 reduction or hydrogenation.

  DOI：

  10.1021/ol401138q
• 作为产物：
  描述：

  4-((2-oxo-1-phenylpropyl)amino)-3-benzoyl-7-dimethylaminocoumarin 在 对甲苯磺酸 作用下， 以 甲醇 为溶剂， 反应 0.5h， 以98%的产率得到7-(dimethylamino)-3-phenyl-2-phenylchromeno[4,3-b]pyrrol-4(1H)-one
  参考文献：
  名称：

  Synthesis of Coumarin/Pyrrole-Fused Heterocycles and Their Photochemical and Redox-Switching Properties

  摘要：

  Two coumarin/pyrrole-fused heterocycles were synthesized to investigate their photochemical and redox-switching properties. Photooxidation of the colorless diphenyl-substituted pyrrolocoumarin resulted in a distinct change to red and a sharp decrease in fluorescence Intensity. The photooxidized product can be swiftly reverted to the original form by NaCNBH3 reduction or hydrogenation.

  DOI：

  10.1021/ol401138q