6-amino-3-cyano-2-(cyanomethoxycarbonylmethylidene)-4-phenyl-2,3,4,5-tetrahydropyridine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 6-amino-3-cyano-2-(cyanomethoxycarbonylmethylidene)-4-phenyl-2,3,4,5-tetrahydropyridine
• 化学式: C₁₆H₁₄N₄O₂
• 分子量: 294.313
• InChiKey: PRPADQQKCBTNMC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.62
• 重原子数：
  22.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  112.26
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  肉桂腈 、 sodium methylate 、 丙二腈 以 甲醇 为溶剂， 以49%的产率得到Amino-2 cyano-5 methoxy-6 phenyl-4 dihydro-3,4 pyridine
  参考文献：
  名称：

  On the Mechanism of Formation of Pyridines from a,b-Unsaturated Nitriles and Active Cyano Compounds

  摘要：

  The mechanism of formation of pyridines from alpha,beta-unsaturated nitriles and active cyano compounds has been investigated. These processes proceed through a Michael adduct which undergoes a regioselective cyclization to the corresponding heterocyclic compound. The regioselectivity of the heterocyclization processes is justified.

  DOI：

  10.3987/com-95-7182

文献信息

• On the Mechanism of Formation of Pyridines from a,b-Unsaturated Nitriles and Active Cyano Compounds
  作者：Antonio Lorente、José L. Alvarez-Barbas、José L. Soto、Pilar Gómez-Sal、Antonio Manzanero

  DOI：10.3987/com-95-7182

  日期：——

  The mechanism of formation of pyridines from alpha,beta-unsaturated nitriles and active cyano compounds has been investigated. These processes proceed through a Michael adduct which undergoes a regioselective cyclization to the corresponding heterocyclic compound. The regioselectivity of the heterocyclization processes is justified.