3-(3-ethyl-2,8-dimethylquinolin-4-ylsulfanyl)propionitrile | 488708-18-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 3-(3-ethyl-2,8-dimethylquinolin-4-ylsulfanyl)propionitrile
• 英文别名: 3-[(3-Ethyl-2,8-dimethylquinolin-4-yl)sulfanyl]propanenitrile；3-(3-ethyl-2,8-dimethylquinolin-4-yl)sulfanylpropanenitrile
• CAS: 488708-18-5
• 化学式: C₁₆H₁₈N₂S
• 分子量: 270.398
• InChiKey: BLCJFMITZKDTAW-UHFFFAOYSA-N

物化性质

• 熔点：
  84-85 °C(Solv: ethanol (64-17-5))
• 沸点：
  438.6±45.0 °C(Predicted)
• 密度：
  1.13±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  62
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-Ethyl-2,8-dimethylquinoline-4(1H)-thione 、 丙烯腈 在 sodium hydroxide 作用下， 以 1,4-二氧六环 、 水 为溶剂， 以90%的产率得到3-(3-ethyl-2,8-dimethylquinolin-4-ylsulfanyl)propionitrile
  参考文献：
  名称：

  Synthesis of (2-methylquinolin-4-ylsulfanyl)-substituted acetic and propionic acids and propionitriles

  摘要：

  A procedure has been developed for the synthesis of (2-methylquinolin-4-ylsulfanyl)-substituted acetic and propionic acids and propionitriles having methyl, methoxy, or carboxy groups or halogen atom in position 6 or 8 of the quinoline ring via reactions of the corresponding substituted 2-methylquinoline-4-thiols with chloroacetic or acrylic acid and acrylonitrile.

  DOI：

  10.1134/s1070428010040226

文献信息

• Synthesis of (2-methylquinolin-4-ylsulfanyl)-substituted acetic and propionic acids and propionitriles
  作者：A. A. Avetisyan、I. L. Aleksanyan、V. G. Durgaryan

  DOI：10.1134/s1070428010040226

  日期：2010.4

  A procedure has been developed for the synthesis of (2-methylquinolin-4-ylsulfanyl)-substituted acetic and propionic acids and propionitriles having methyl, methoxy, or carboxy groups or halogen atom in position 6 or 8 of the quinoline ring via reactions of the corresponding substituted 2-methylquinoline-4-thiols with chloroacetic or acrylic acid and acrylonitrile.