4-[2-phenyl-2-(propylamino)ethyl]benzonitrile | 1191098-87-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 4-[2-phenyl-2-(propylamino)ethyl]benzonitrile
• CAS: 1191098-87-9
• 化学式: C₁₈H₂₀N₂
• 分子量: 264.37
• InChiKey: KTZVAGLLBNZIOO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  35.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  正丙胺 、 苯甲醛 、 对氰基溴化苄 在 三氟乙酸 、 锌 、 氯化铵 作用下， 以 乙腈 、 水 为溶剂， 反应 1.0h， 以46%的产率得到4-[2-phenyl-2-(propylamino)ethyl]benzonitrile
  参考文献：
  名称：

  Three-Component Synthesis of α-Branched Amines under Barbier-like Conditions

  摘要：

  An array of alpha-branched amines has been prepared by using an expedient three-component Mannich-type reaction among organic halides, aldehyde derivatives, and amines. The experimental procedure, which is characterized by its simplicity, employs zinc dust for the in situ generation of organozinc reagents. We show that this Barbier-like protocol constitutes a useful entry to diaryl-methylamines, 1,2-diarylethylamines, alpha- or beta-amino esters, benzylamines, and beta-arylethylamines.

  DOI：

  10.1021/jo901704s

文献信息

• Three-Component Synthesis of α-Branched Amines under Barbier-like Conditions
  作者：Erwan Le Gall、Caroline Haurena、Stéphane Sengmany、Thierry Martens、Michel Troupel

  DOI：10.1021/jo901704s

  日期：2009.10.16

  An array of alpha-branched amines has been prepared by using an expedient three-component Mannich-type reaction among organic halides, aldehyde derivatives, and amines. The experimental procedure, which is characterized by its simplicity, employs zinc dust for the in situ generation of organozinc reagents. We show that this Barbier-like protocol constitutes a useful entry to diaryl-methylamines, 1,2-diarylethylamines, alpha- or beta-amino esters, benzylamines, and beta-arylethylamines.