1,3-diphenyl-2,2,4-butanetricarbonitrile | 174872-64-1

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物
• 英文名称: 1,3-diphenyl-2,2,4-butanetricarbonitrile
• CAS: 174872-64-1
• 化学式: C₁₉H₁₅N₃
• 分子量: 285.348
• InChiKey: WFHAEEHOBUDQPI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.96
• 重原子数：
  22.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  71.37
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  1,3-diphenyl-2,2,4-butanetricarbonitrile 在 盐酸 、 sodium 作用下， 以 甲醇 为溶剂， 反应 16.0h， 生成 methyl 2-benzyl-2,4-dicyano-3-phenylbutanoate
  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
• 作为产物：
  描述：

  肉桂腈 在 dimsyl sodium 、 potassium carbonate 作用下， 以 二甲基亚砜 、 丙酮 为溶剂， 反应 28.0h， 生成 1,3-diphenyl-2,2,4-butanetricarbonitrile
  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.