(Z,E)-3,4-Dimethyl-5-<3-(5-formyl-3,4-dimethylpyrrol-2-yl)-prop-2-enylidene>-3-pyrrolin-2-one | 146425-50-5

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: (Z,E)-3,4-Dimethyl-5-<3-(5-formyl-3,4-dimethylpyrrol-2-yl)-prop-2-enylidene>-3-pyrrolin-2-one
• CAS: 146425-50-5
• 化学式: C₁₆H₁₈N₂O₂
• 分子量: 270.331
• InChiKey: KCYLLMLGOYLAKH-UHFFFAOYSA-N

物化性质

• 沸点：
  548.0±50.0 °C(predicted)
• 密度：
  1.233±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.81
• 重原子数：
  20.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  61.96
• 氢给体数：
  2.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  (Z,E)-3,4-Dimethyl-5-<3-(5-formyl-3,4-dimethylpyrrol-2-yl)-prop-2-enylidene>-3-pyrrolin-2-one 、 (4Z)-2,3,7,8-tetramethyl-10H-dipyrrin-1-one 以 三氟乙酸 为溶剂， 生成 (4Z,9Z,15E,17Z)-2,3,7,8,12,13-hexamethyl-14-3-(3,4-dimethyl-2-oxo-3-pyrrolin-5-ylidene)-prpenyl-(24H)-tripyrrinone
  参考文献：
  名称：

  On the chemistry of pyrrole pigments, LXXXIX: Vinylogous linear di- and tetrapyrroles

  摘要：

  A vinylogous dipyrrinone, its Ehrlich aldehyde condensate, and the vinylogous bilindione derived from the vinylogous dipyrrinone were prepared. Their structural aspects of tautomerism, configuration and conformation were derived by analysis of their H-1-NMR data. Selected physical properties were determined and are discussed.

  DOI：

  10.1007/bf00808284
• 作为产物：
  描述：

  3-(3,4-dimethyl-1H-pyrrol-2-yl)prop-2-enal 在 sodium hydroxide 、 三氟乙酸 作用下， 以 甲醇 为溶剂， 反应 0.5h， 生成 (Z,E)-3,4-Dimethyl-5-<3-(5-formyl-3,4-dimethylpyrrol-2-yl)-prop-2-enylidene>-3-pyrrolin-2-one
  参考文献：
  名称：

  On the chemistry of pyrrole pigments, LXXXIX: Vinylogous linear di- and tetrapyrroles

  摘要：

  A vinylogous dipyrrinone, its Ehrlich aldehyde condensate, and the vinylogous bilindione derived from the vinylogous dipyrrinone were prepared. Their structural aspects of tautomerism, configuration and conformation were derived by analysis of their H-1-NMR data. Selected physical properties were determined and are discussed.

  DOI：

  10.1007/bf00808284