3-(5-methyl-1-hexenyl) 3-methylbutyrate | 144412-99-7

• 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: 3-(5-methyl-1-hexenyl) 3-methylbutyrate
• 英文别名: 5-Methylhex-1-en-3-yl 3-methylbutanoate
• CAS: 144412-99-7
• 化学式: C₁₂H₂₂O₂
• 分子量: 198.305
• InChiKey: WNBDPPWJWCBLJL-UHFFFAOYSA-N

物化性质

• 沸点：
  238.4±9.0 °C(Predicted)
• 密度：
  0.876±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  14
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-(5-methyl-1-hexenyl) 3-methylbutyrate 在 三甲基氯硅烷 、 lithium diisopropyl amide 作用下， 生成 (4E)-2-(2-propyl)-7-methyl-4-octenoic acid
  参考文献：
  名称：

  Synthesis of the hydroxyethylene isostere of Leu-Val

  摘要：

  The hydroxyethylene isostere of the dipeptide leu-val was synthesized from isovaleryl aldehyde in nine steps in 15% overall yield without the use of chromatographic separations. A key finding is the ability of an amide to selectively direct an epoxidation in an acyclic system and that the selectivity is a function of the amide's size.

  DOI：

  10.1021/jo00051a005
• 作为产物：
  描述：

  乙烯基溴化镁 、 异戊酰氯 、 异戊醛 生成 3-(5-methyl-1-hexenyl) 3-methylbutyrate
  参考文献：
  名称：

  Synthesis of the hydroxyethylene isostere of Leu-Val

  摘要：

  The hydroxyethylene isostere of the dipeptide leu-val was synthesized from isovaleryl aldehyde in nine steps in 15% overall yield without the use of chromatographic separations. A key finding is the ability of an amide to selectively direct an epoxidation in an acyclic system and that the selectivity is a function of the amide's size.

  DOI：

  10.1021/jo00051a005

文献信息

• Synthesis of the hydroxyethylene isostere of Leu-Val
  作者：Peter G. M. Wuts、Allen R. Ritter、Lynn E. Pruitt

  DOI：10.1021/jo00051a005

  日期：1992.12

  The hydroxyethylene isostere of the dipeptide leu-val was synthesized from isovaleryl aldehyde in nine steps in 15% overall yield without the use of chromatographic separations. A key finding is the ability of an amide to selectively direct an epoxidation in an acyclic system and that the selectivity is a function of the amide's size.