4-Methyl-3-propylhexanoic acid | 212953-11-2

• 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: 4-Methyl-3-propylhexanoic acid
• CAS: 212953-11-2
• 化学式: C₁₀H₂₀O₂
• 分子量: 172.268
• InChiKey: DQIVQOPOXRJFSH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  12
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.9
• 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：

  反式-2-己烯酸 、 仲丁基锂 以 四氢呋喃 为溶剂， 以44%的产率得到4-Methyl-3-propylhexanoic acid
  参考文献：
  名称：

  Conjugate addition of organolithium reagents to α,β-unsaturated carboxylic acids

  摘要：

  Conjugate addition of primary, secondary, tertiary alkyl and phenyl lithium reagents to 2-alkenoic acids affords good yields of branched saturated carboxylic acids. Substitution by methyl groups at the alpha-carbon strongly decreases reactivity, whereas deprotonation of the starting acid occurs almost exclusively with methyl substitution at the beta-carbon of the 2-alkenoic acid. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)01306-9

文献信息

• Conjugate addition of organolithium reagents to α,β-unsaturated carboxylic acids
  作者：María José Aurell、Luis Ramón Domingo、Ramón Mestres、Elena Muñoz、Ramón José Zaragozá

  DOI：10.1016/s0040-4020(98)01073-4

  日期：1999.1

  Conjugate addition of primary, secondary, tertiary alkyl and phenyl lithium reagents to 2-alkenoic acids affords good yields of branched saturated carboxylic acids. Methyl groups at the alpha- and beta-carbon of the 2-alkenoic acid decrease reactivity as accepters, and foster deprotonation, respectively. The lithium enediolate resulting from the conjugate addition can react with electrophiles. PM3 calculations are in agreement with the substituent effects. (C) 1998 Published by Elsevier Science Ltd. All rights reserved.