(2Z)-2-(1,3,5-trimethylbenzimidazol-2-ylidene)acetonitrile | 1256281-43-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: (2Z)-2-(1,3,5-trimethylbenzimidazol-2-ylidene)acetonitrile
• CAS: 1256281-43-2
• 化学式: C₁₂H₁₃N₃
• 分子量: 199.255
• InChiKey: PSJYAMFZYCJECG-SDQBBNPISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  30.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-(1,5-Dimethylbenzimidazol-2-yl)acetonitrile 、 硫酸二甲酯 在 sodium hydroxide 作用下， 以 水 为溶剂， 反应 0.67h， 生成 (2E)-2-(1,3,5-trimethylbenzimidazol-2-ylidene)acetonitrile 、 (2Z)-2-(1,3,5-trimethylbenzimidazol-2-ylidene)acetonitrile
  参考文献：
  名称：

  Synthesis and properties of 3-cyano-3-hetaryl-ylidene-2-oxopropyl ethanethioates and 4-cyano-4-hetarylylidene-3-oxobutyl ethanethioates

  摘要：

  Acylation of hetarylacetonitriles and hetarylylideneacetonitriles with acetylmercaptoacetyl chloride gave 3-cyano-3-hetarylylidene-2-oxopropyl ethanethioates. 2-Amino-3-hetaryl-4(5H)oxothiophenes or 2-hetarylylidene-3-oxo-4-sulfanylbutanenitriles were obtained on treating them with bases. Acylation of hetarylacetonitriles with 3-acetylmercaptopropionyl chloride gave 4-cyano-4-hetarylylidene-3-oxobutyl ethanethioates, deacetylation of which gave 2-hetarylylidene-3-oxo-5-sulfanylpentanenitriles.

  DOI：

  10.1007/s10593-010-0598-7

文献信息

• Synthesis and properties of 3-cyano-3-hetaryl-ylidene-2-oxopropyl ethanethioates and 4-cyano-4-hetarylylidene-3-oxobutyl ethanethioates
  作者：A. V. Dobridnev、T. A. Volovnenko、A. V. Turov、Yu. M. Volovenko

  DOI：10.1007/s10593-010-0598-7

  日期：2010.11

  Acylation of hetarylacetonitriles and hetarylylideneacetonitriles with acetylmercaptoacetyl chloride gave 3-cyano-3-hetarylylidene-2-oxopropyl ethanethioates. 2-Amino-3-hetaryl-4(5H)oxothiophenes or 2-hetarylylidene-3-oxo-4-sulfanylbutanenitriles were obtained on treating them with bases. Acylation of hetarylacetonitriles with 3-acetylmercaptopropionyl chloride gave 4-cyano-4-hetarylylidene-3-oxobutyl ethanethioates, deacetylation of which gave 2-hetarylylidene-3-oxo-5-sulfanylpentanenitriles.