2-cyclohexyl-3-oxopentanenitrile

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-cyclohexyl-3-oxopentanenitrile
• 英文别名: 2-Cyclohexyl-3-oxopentanenitrile
• 化学式: C₁₁H₁₇NO
• 分子量: 179.262
• InChiKey: QTUITOWSNDQCKA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  40.9
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-环己基乙腈 、 丙酸乙酯 在 potassium 2-methylbutan-2-olate 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 以83%的产率得到2-cyclohexyl-3-oxopentanenitrile
  参考文献：
  名称：

  A High-Yielding Preparation of β-Ketonitriles

  摘要：

  beta-Ketonitriles are important precursors for a wide variety of biologically active heterocycles. A facile procedure for the high-yielding acylation of nitrile anions with unactivated esters to provide beta-ketonitriles is reported. The procedure is successful with enolizable and nonenolizable esters as well as hindered nitrile anions.

  DOI：

  10.1021/ol053164z

文献信息

• A High-Yielding Preparation of β-Ketonitriles
  作者：Yaohui Ji、William C. Trenkle、James V. Vowles

  DOI：10.1021/ol053164z

  日期：2006.3.1

  beta-Ketonitriles are important precursors for a wide variety of biologically active heterocycles. A facile procedure for the high-yielding acylation of nitrile anions with unactivated esters to provide beta-ketonitriles is reported. The procedure is successful with enolizable and nonenolizable esters as well as hindered nitrile anions.