ethyl (7,7-dimethyl-1-oxo-2,3,4,5,6,7-hexahydro-1H-inden-1-yl)-acetate | 139571-20-3

• 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: ethyl (7,7-dimethyl-1-oxo-2,3,4,5,6,7-hexahydro-1H-inden-1-yl)-acetate
• 英文别名: (7,7-Dimethyl-1-oxo-2,3,4,5,6,7-hexahydro-1H-inden-2-yl)acetic acid, ethyl ester；ethyl 2-(4,4-dimethyl-3-oxo-2,5,6,7-tetrahydro-1H-inden-2-yl)acetate
• CAS: 139571-20-3
• 化学式: C₁₅H₂₂O₃
• 分子量: 250.338
• InChiKey: ASGUHKPFEZUWRY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  乙醇 、 反应 50.0h， 以55%的产率得到ethyl (7,7-dimethyl-1-oxo-2,3,4,5,6,7-hexahydro-1H-inden-1-yl)-acetate
  参考文献：
  名称：

  Routes to derivatives of strigol (the witchweed germination factor) modified) in the 5-position

  摘要：

  The title compounds were prepared using nucleophilic substitution in the 5-position of 5b, 6b, 11a, and 11b or electrophilic addition to the diene system in 4 as key reactions. Methods for configurational assignment at C-5 and C-2' are discussed.

  DOI：

  10.1016/s0040-4020(01)80719-5

文献信息

• Routes to derivatives of strigol (the witchweed germination factor) modified) in the 5-position
  作者：Katja Frischmuth、Emmanuelle Samson、Angelika Kranz、Peter Welzel、Heike Meuer、William S. Sheldrick

  DOI：10.1016/s0040-4020(01)80719-5

  日期：1991.12

  The title compounds were prepared using nucleophilic substitution in the 5-position of 5b, 6b, 11a, and 11b or electrophilic addition to the diene system in 4 as key reactions. Methods for configurational assignment at C-5 and C-2' are discussed.