6-amino-2-(2-cyanoethyl)sulfanyl-4-cyclohexylpyridine-3,5-dicarbonitrile

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 6-amino-2-(2-cyanoethyl)sulfanyl-4-cyclohexylpyridine-3,5-dicarbonitrile
• 英文别名: 2-Amino-6-(2-cyano-ethylsulfanyl)-4-cyclohexyl-pyridine-3,5-dicarbonitrile；2-amino-6-(2-cyanoethylsulfanyl)-4-cyclohexylpyridine-3,5-dicarbonitrile
• 化学式: C₁₆H₁₇N₅S
• 分子量: 311.41
• InChiKey: OQEDNMGNUYFSBL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  136
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  6-amino-4-cyclohexyl-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile 、 丙烯腈 以 甲醇 为溶剂， 反应 50.0h， 以89%的产率得到6-amino-2-(2-cyanoethyl)sulfanyl-4-cyclohexylpyridine-3,5-dicarbonitrile
  参考文献：
  名称：

  Cyclohexanecarbaldehyde in multicomponent syntheses of functionalized cyclohexyl-substituted acrylonitriles, 4H-chalcogenopyrans, 1,4-dihydropyridines, and pyridines

  摘要：

  Multicomponent condensations of cyclohexanecarbaldehyde with CH acids, malonodinitrile, cyanothio(seleno)acetamide, ethyl cyanoacetate, ethyl acetoacetate, thiobarbituric acid, dimedone, resorcinol, and 3-aminophenol, afforded functionalized cyclohexyl-substituted acrylonitriles, 4H-pyrans, 4H-thio(seleno)-pyrans, 1-benzopyrans, 1,4-dihydropyridines, and pyridines.

  DOI：

  10.1134/s1070363206020216

文献信息

• Cyclohexanecarbaldehyde in multicomponent syntheses of functionalized cyclohexyl-substituted acrylonitriles, 4H-chalcogenopyrans, 1,4-dihydropyridines, and pyridines
  作者：V. D. Dyachenko

  DOI：10.1134/s1070363206020216

  日期：2006.2

  Multicomponent condensations of cyclohexanecarbaldehyde with CH acids, malonodinitrile, cyanothio(seleno)acetamide, ethyl cyanoacetate, ethyl acetoacetate, thiobarbituric acid, dimedone, resorcinol, and 3-aminophenol, afforded functionalized cyclohexyl-substituted acrylonitriles, 4H-pyrans, 4H-thio(seleno)-pyrans, 1-benzopyrans, 1,4-dihydropyridines, and pyridines.