(E)-2-cyanomethyl but-2-enoic acid ethyl ester | 1228539-07-8

• 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: (E)-2-cyanomethyl but-2-enoic acid ethyl ester
• 英文别名: Ethyl (2E)-2-(cyanomethyl)-2-butenoate；ethyl (E)-2-(cyanomethyl)but-2-enoate
• CAS: 1228539-07-8
• 化学式: C₈H₁₁NO₂
• 分子量: 153.181
• InChiKey: XBVRGXYOJPHDFH-XVNBXDOJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  50.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-cyano-2-(diethoxyphosphoryl)propanoic acid ethyl ester 、 乙醛 在 potassium carbonate 作用下， 以 四氢呋喃 为溶剂， 反应 8.0h， 生成 (Z)-2-cyanomethyl but-2-enoic acid ethyl ester 、 (E)-2-cyanomethyl but-2-enoic acid ethyl ester
  参考文献：
  名称：

  An Efficient Approach to the Synthesis of Ethyl α-Cyanoalkyl β-Substituted Acrylates by the HWE Olefination of Ethyl 2-(Diethoxyphosphoryl) Cyanoalkanoates

  摘要：

  Ethyl -cyanoalkyl -substituted acrylates 5a-i were prepared in good yields on a synthetic scale by Horner-Wadsworth-Emmons olefination of the corresponding ethyl 2-(diethoxy-phosphoryl) cyanoalkanoates 3a-c using different aldehydes and anhydrous potassium carbonate in dry THF at reflux.

  DOI：

  10.1080/10426500902915499

文献信息

• An Efficient Approach to the Synthesis of Ethyl α-Cyanoalkyl β-Substituted Acrylates by the HWE Olefination of Ethyl 2-(Diethoxyphosphoryl) Cyanoalkanoates
  作者：B. Toumi、A. Samarat、A. Harizi、H. Amri

  DOI：10.1080/10426500902915499

  日期：2010.2.23

  Ethyl -cyanoalkyl -substituted acrylates 5a-i were prepared in good yields on a synthetic scale by Horner-Wadsworth-Emmons olefination of the corresponding ethyl 2-(diethoxy-phosphoryl) cyanoalkanoates 3a-c using different aldehydes and anhydrous potassium carbonate in dry THF at reflux.