| 1140485-50-2

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醇
• CAS: 1140485-50-2
• 化学式: C₄H₉N
• 分子量: 77.0745
• InChiKey: ARYPXRGDKSAXBV-WFGJKAKNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  5.0
• 可旋转键数：
  3.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  12.36
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  氘代乙腈 在 Raney-Co 氢气 作用下， 109.84 ℃ 、4.5 MPa 条件下， 生成 、 Diethyl-d6-amine 、 <(2,2,2-D3)ethyl>amine
  参考文献：
  名称：

  Investigations into the mechanism of the liquid-phase hydrogenation of nitriles over Raney-Co catalysts

  摘要：

  The co-hydrogenation of acetonitrile and butyronitrile over Raney-Co was investigated in order to obtain insight into the mechanism underlying the formation of secondary amines. Acetonitrile was reduced much faster to the corresponding primary amine due to stronger adsorption on the catalyst surface. In parallel, dialkylimines were formed and subsequently converted to secondary amines. It is suggested that the dialkylimines are formed by reaction of partially hydrogenated intermediate species on the cobalt surface with amines. In this respect, n-butylamine was found to react much faster than ethylamine. The stronger inductive effect of the butyl chain is thought to facilitate nucleophilic attack of the amine at the alpha-C-atom of the surface species. By comparing the C-2 and C-4 balance for dialkylimines and dialkylamines, it was found that direct hydrogenation of the dialkylimine cannot be the only way of dialkylarnine formation. Instead, it is suggested that alkyl group transfer occurs by reaction of a monoalkylamine with a dialkylimine and cross-transfer between two dialkylimines. (C) 2007 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.jcat.2007.10.008