(E)-3-amino-4-methylpent-2-enenitrile | 127024-12-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: (E)-3-amino-4-methylpent-2-enenitrile
• CAS: 127024-12-8
• 化学式: C₆H₁₀N₂
• 分子量: 110.159
• InChiKey: DUDWHIZGKCRFIB-ZZXKWVIFSA-N

物化性质

• 沸点：
  273.7±13.0 °C(Predicted)
• 密度：
  0.930±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  8
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  49.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (E)-3-amino-4-methylpent-2-enenitrile 、 噻唑烷盐酸盐 以 乙腈 为溶剂， 反应 6.0h， 以62%的产率得到5-isopropyl-2,3,4,7-tetrahydro[1,4]thiazepine-6-carbonitrile
  参考文献：
  名称：

  Synthesis of 2,3,4,7-tetrahydro[1,4]thiazepines from thiazolidines and β-enaminonitriles

  摘要：

  A wide library of 2,3,4,7-tetrahydrol 1,4]thiazepines have been prepared by simple heating of thiazolidine and beta-enaminonitrile derivatives in acetonitrile. The procedure, whose yields depend on the nature and position of the Substituents, gave good results if the substituents were not very bulky but it is less effective when starting from 2-substituted thiazolidines. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.02.027

文献信息

• Process for preparing 3-substituted-3-aminonitrile
  申请人：ELI LILLY AND COMPANY

  公开号：EP0135252A2

  公开（公告）日：1985-03-27

  A novel process for preparing aminonitriles is described. Some of the aminonitriles are novel. All the aminonitriles serve as intermediates for preparing isothiazoiyfurea compounds which are useful as herbicides and algicides.

  描述了一种制备氨基硝酸酯的新工艺。 其中一些氨基腈是新颖的。 所有氨腈化合物都可作为制备异噻唑脲化合物的中间体，而异噻唑脲化合物可用作除草剂和杀藻剂。
• Synthesis of 2,3,4,7-tetrahydro[1,4]thiazepines from thiazolidines and β-enaminonitriles
  作者：Luis A. Calvo、Alfonso González-Ortega、Rocío Marcos、Mónica Pérez、M. Carmen Sañudo

  DOI：10.1016/j.tet.2008.02.027

  日期：2008.4

  A wide library of 2,3,4,7-tetrahydrol 1,4]thiazepines have been prepared by simple heating of thiazolidine and beta-enaminonitrile derivatives in acetonitrile. The procedure, whose yields depend on the nature and position of the Substituents, gave good results if the substituents were not very bulky but it is less effective when starting from 2-substituted thiazolidines. (c) 2008 Elsevier Ltd. All rights reserved.