2-amino-4-(4-chlorophenyl)-6-(piperidin-1-yl)pyridine-3,5-dicarbonitrile | 1268160-65-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2-amino-4-(4-chlorophenyl)-6-(piperidin-1-yl)pyridine-3,5-dicarbonitrile
• 英文别名: 2-Amino-4-(4-chlorophenyl)-6-piperidin-1-ylpyridine-3,5-dicarbonitrile；2-amino-4-(4-chlorophenyl)-6-piperidin-1-ylpyridine-3,5-dicarbonitrile
• CAS: 1268160-65-1
• 化学式: C₁₈H₁₆ClN₅
• 分子量: 337.812
• InChiKey: WDAMEOCOLAUOHS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  89.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  哌啶 、 5-[(4-氯苯基)亚甲基]-1,3-二嗪农-2,4,6-三酮 、 丙二腈 以 乙醇 为溶剂， 以63%的产率得到2-amino-4-(4-chlorophenyl)-6-(piperidin-1-yl)pyridine-3,5-dicarbonitrile
  参考文献：
  名称：

  An Experimental Study of Special Leaving Group Behavior in the Reaction of Arylidenebarbituric Acids with Carbon Nucleophiles

  摘要：

  The reaction of benzylidenebarbituric acid and 1,3-dimethylbenzylidenebarbituric acid with malononitrile as well as with dimedone in piperidine is investigated. In reaction with malononitrile, substituted pyridine-3,5-dicarbonitriles are obtained, while with dimedone, xanthenes and/or 6-hydroxy-5((2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-enyl)(aryl(methyl)-1,3-dimethyl pyrimidine-2,4(1H,3H)-dione derivatives are isolated.

  DOI：

  10.3987/com-10-12073

文献信息

• An Experimental Study of Special Leaving Group Behavior in the Reaction of Arylidenebarbituric Acids with Carbon Nucleophiles
  作者：Enayatollah Sheikhhosseini、Mohammad A. Bigdeli、Azizollah Habibi、Saeed Balalaie

  DOI：10.3987/com-10-12073

  日期：——

  The reaction of benzylidenebarbituric acid and 1,3-dimethylbenzylidenebarbituric acid with malononitrile as well as with dimedone in piperidine is investigated. In reaction with malononitrile, substituted pyridine-3,5-dicarbonitriles are obtained, while with dimedone, xanthenes and/or 6-hydroxy-5((2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-enyl)(aryl(methyl)-1,3-dimethyl pyrimidine-2,4(1H,3H)-dione derivatives are isolated.