2-(1-methylpropyl)-3-butenoic acid

• 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: 2-(1-methylpropyl)-3-butenoic acid
• 英文别名: 2-Ethenyl-3-methylpentanoic acid
• 化学式: C₈H₁₄O₂
• mdl: MFCD19231330
• 分子量: 142.198
• InChiKey: VJJQPHORSKXULO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.625
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  巴豆酸 、 2-溴丁烷 在 N,N-二乙醇十二酰胺 作用下， 生成 2-(1-methylpropyl)-3-butenoic acid
  参考文献：
  名称：

  Lithium enediolates and dienediolates of carboxylic acids in synthesis: Alkylation with secondary halides

  摘要：

  High yields in the alkylation of dianions of alpha,beta-unsaturated carboxylic acids with secondary halides can be obtained despite elimination reactions occurring. alpha-Regioselectivity for the alkylation of but-2-enoic acids (1-4) is seldom obtained. Although double bond stereoselectivity is higher than 99% for gamma-alkylated products, stereoselectivity is rather poor for most of the alpha-alkylated products. (C) 1998 Elsevier Science Ltd. AII rights reserved.

  DOI：

  10.1016/s0040-4020(98)00957-0

文献信息

• Lithium enediolates and dienediolates of carboxylic acids in synthesis: Alkylation with secondary halides
  作者：Eva M. Brun、Salvador Gil、Ramón Mestres、Margarita Parra

  DOI：10.1016/s0040-4020(98)00957-0

  日期：1998.12

  High yields in the alkylation of dianions of alpha,beta-unsaturated carboxylic acids with secondary halides can be obtained despite elimination reactions occurring. alpha-Regioselectivity for the alkylation of but-2-enoic acids (1-4) is seldom obtained. Although double bond stereoselectivity is higher than 99% for gamma-alkylated products, stereoselectivity is rather poor for most of the alpha-alkylated products. (C) 1998 Elsevier Science Ltd. AII rights reserved.