ethyl 4-isobutyryl-6-methyl-6-methoxyheptanoate | 5213-83-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: ethyl 4-isobutyryl-6-methyl-6-methoxyheptanoate
• 英文别名: Ethyl 6-methoxy-6-methyl-4-(2-methylpropanoyl)-5-oxoheptanoate
• CAS: 5213-83-2
• 化学式: C₁₅H₂₆O₅
• 分子量: 286.368
• InChiKey: XYNFUWUGSLJRHO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  20
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  69.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-methoxy-2,6,6-dimethylheptane-3,5-dione 、 丙烯酸乙酯 在 氢氧化钾 作用下， 生成 ethyl 4-isobutyryl-6-methyl-6-methoxyheptanoate
  参考文献：
  名称：

  Sterically hindered 1,3-diketones in the Michael reaction

  摘要：

  The base catalyzed addition of sterically hindered 1,3-diketones to the activated multiple bond of ethyl acrylate and 4-methyl-4-methoxy-1-phenylpent-2-yne-1-one has been studied. The addition of methyl(2-propenyl)ketone is partially accompanied by intramolecular cyclization of the resulting adduct.

  DOI：

  10.1007/bf01433748

文献信息

• Sterically hindered 1,3-diketones in the Michael reaction
  作者：I. E. Sokolov、A. S. Zanina、S. I. Shergina、M. S. Shvartsberg

  DOI：10.1007/bf01433748

  日期：1996.1

  The base catalyzed addition of sterically hindered 1,3-diketones to the activated multiple bond of ethyl acrylate and 4-methyl-4-methoxy-1-phenylpent-2-yne-1-one has been studied. The addition of methyl(2-propenyl)ketone is partially accompanied by intramolecular cyclization of the resulting adduct.