4-(4-chlorophenyl)-5-(4-hydroxy-2-oxo-2H-chromen-3-yl)-1,3-dimethyl-2,3-dihydro-1H-imidazol-2-one | 1178563-11-5

• 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-(4-chlorophenyl)-5-(4-hydroxy-2-oxo-2H-chromen-3-yl)-1,3-dimethyl-2,3-dihydro-1H-imidazol-2-one
• CAS: 1178563-11-5
• 化学式: C₂₀H₁₅ClN₂O₄
• 分子量: 382.803
• InChiKey: CIEYORWPSQGPAR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.52
• 重原子数：
  27.0
• 可旋转键数：
  2.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  77.37
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  4-(4-chlorophenyl)-5-(4-hydroxy-2-oxo-2H-chromen-3-yl)-1,3-dimethyl-2,3-dihydro-1H-imidazol-2-one 以 N-甲基吡咯烷酮 为溶剂， 生成
  参考文献：
  名称：

  Photochemical study of electrocyclization of 4-aryl-5-hetarylimidazolones for information optical recording

  摘要：

  Irreversible photocyclization of 4-(het)aryl-5-(beta-hydroxyvinyl) imidazolone derivatives into fused polycyclic structures proceeds with elimination of water molecule. A relationship between quantum yields, spectral characteristics and the structures of starting materials and cyclization products has been established. The results obtained are of interest in creation of optical recording media with fluorescent readout of the written information.

  DOI：

  10.1016/j.mencom.2020.05.023
• 作为产物：
  描述：

  4-羟基香豆素 、 1,3-二甲基脲 、 (4-氯苯基)-氧代乙醛 在 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 0.83h， 以45%的产率得到4-(4-chlorophenyl)-5-(4-hydroxy-2-oxo-2H-chromen-3-yl)-1,3-dimethyl-2,3-dihydro-1H-imidazol-2-one
  参考文献：
  名称：

  Reaction of 4-hydroxycoumarin with arylglyoxals and ureas

  摘要：

  One-pot condensation of 4-hydroxycoumarin with arylglyoxals and ureas gave 4-aryl-5-(4-hydroxy-2-oxo-2H-chromen-3-yl)-1H-imidazol-2(3H)-ones. The same compounds may be obtained from aroylbis(4-hydroxy-2-oxo-2H-chromen-3-yl)methanes and urea. The reaction of 4-bromobenzaldehyde with 4-hydroxycoumarin in the presence of urea led to the formation of the corresponding Michael adduct without participation of urea.

  DOI：

  10.1134/s1070428009010151