β-Hydroxy-γ-methylhexanenitrile

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: β-Hydroxy-γ-methylhexanenitrile
• 英文别名: 3-Hydroxy-4-methylhexanenitrile
• 化学式: C₇H₁₃NO
• 分子量: 127.186
• InChiKey: KHZNYORIBXRLAD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  44
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-甲基丁醛 、 乙腈 在 P(HNCH₂CH₂)(i-PrNCH₂CH₂)2N 、 magnesium sulfate 作用下， 反应 4.0h， 以95%的产率得到β-Hydroxy-γ-methylhexanenitrile
  参考文献：
  名称：

  P(RNCH₂CH₂)₃N-Catalyzed Synthesis of β-Hydroxy Nitriles

  摘要：

  We herein report the successful synthesis of beta-hydroxy nitriles in very good to excellent yields from aldehydes and ketones in a simple reaction that is promoted by strong nonionic bases of the. title type. The reaction occurs in the presence of magnesium salts which activate the carbonyl group and stabilizes the enolate thus produced.

  DOI：

  10.1021/jo981858y

文献信息

• Protonation of acyllithium reagents by acetonitrile: synthesis of .beta.-hydroxy nitriles
  作者：Nan-Sheng Li、Su Yu、George W. Kabalka

  DOI：10.1021/jo00123a042

  日期：1995.9
• P(RNCH₂CH₂)₃N-Catalyzed Synthesis of β-Hydroxy Nitriles
  作者：Philip Kisanga、Dale McLeod、Bosco D'S、John Verkade

  DOI：10.1021/jo981858y

  日期：1999.4.1

  We herein report the successful synthesis of beta-hydroxy nitriles in very good to excellent yields from aldehydes and ketones in a simple reaction that is promoted by strong nonionic bases of the. title type. The reaction occurs in the presence of magnesium salts which activate the carbonyl group and stabilizes the enolate thus produced.