(5-Isopropyl-3,8-dimethyl-azulen-1-yl)-(4,6,8-trimethyl-azulen-1-yl)-methanone | 150985-81-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: (5-Isopropyl-3,8-dimethyl-azulen-1-yl)-(4,6,8-trimethyl-azulen-1-yl)-methanone
• CAS: 150985-81-2
• 化学式: C₂₉H₃₀O
• 分子量: 394.557
• InChiKey: KIOBQVXCHSIPJQ-UHFFFAOYSA-N

物化性质

• 沸点：
  578.5±29.0 °C(predicted)
• 密度：
  1.074±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.79
• 重原子数：
  30.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  17.07
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  乙醇 、 (5-Isopropyl-3,8-dimethyl-azulen-1-yl)-(4,6,8-trimethyl-azulen-1-yl)-methanone 在 对甲苯磺酸 作用下， 反应 0.17h， 生成 愈创奥 、 ethyl 3,8-dimethyl-5-isopropylazulene-1-carboxylate 、 ethyl 4,6,8-trimethylazulene-1-carboxylate 、 奥苷菊环
  参考文献：
  名称：

  Acid-catalyzed ethanolysis of di-l-azulenyl ketones

  摘要：

  Substituted di-1-azulenyl ketones composed of 3,8-dimethyl-5-isopropyl-1-azulenyl and/or 4,6,8-trimethyl-1-azulenyl group were refluxed in ethanol in the presence of p-toluenesulfonic acid to give substituted azulenes and ethyl-1-carboxylates derived from the cleavage of either of C-CO bonds of di-1-azulenyl ketones. The facility and the product distributions of the ethanolysis were affected markedly by the substituents.

  DOI：

  10.1016/s0040-4039(00)73636-7
• 作为产物：
  描述：

  愈创奥 生成 (5-Isopropyl-3,8-dimethyl-azulen-1-yl)-(4,6,8-trimethyl-azulen-1-yl)-methanone
  参考文献：
  名称：

  Acid-catalyzed ethanolysis of di-l-azulenyl ketones

  摘要：

  Substituted di-1-azulenyl ketones composed of 3,8-dimethyl-5-isopropyl-1-azulenyl and/or 4,6,8-trimethyl-1-azulenyl group were refluxed in ethanol in the presence of p-toluenesulfonic acid to give substituted azulenes and ethyl-1-carboxylates derived from the cleavage of either of C-CO bonds of di-1-azulenyl ketones. The facility and the product distributions of the ethanolysis were affected markedly by the substituents.

  DOI：

  10.1016/s0040-4039(00)73636-7