2-(4-bromophenyl)amino-2-cyanoadamantane | 1099754-30-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2-(4-bromophenyl)amino-2-cyanoadamantane
• 英文别名: 2-(4-bromoanilino)adamantane-2-carbonitrile
• CAS: 1099754-30-9
• 化学式: C₁₇H₁₉BrN₂
• 分子量: 331.255
• InChiKey: QMPWOBJHEGBNTO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.59
• 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：

  2-adamantylidene(4-bromophenyl)amine 、 丙酮氰醇 在 potassium carbonate 作用下， 以82%的产率得到2-(4-bromophenyl)amino-2-cyanoadamantane
  参考文献：
  名称：

  Synthesis of 2-amino-2-cyanoadamantane and its derivatives

  摘要：

  Synthetic routes to new amino nitriles with the functional groups at the 2-position of the adamantane core, based on reactions of adamantanonimines with acetone cyanohydrin or of adamantanone cyanohydrin with aliphatic amines, are considered. The products can be used for preparing new biologically active substances, unsymmetrical adamantyl-containing diamines or amino acids.

  DOI：

  10.1134/s1070427212090145

文献信息

• Synthesis of 2-amino-2-cyanoadamantane and its derivatives
  作者：Yu. V. Popov、V. M. Mokhov、N. A. Tankabekyan、O. Yu. Safronova

  DOI：10.1134/s1070427212090145

  日期：2012.9

  Synthetic routes to new amino nitriles with the functional groups at the 2-position of the adamantane core, based on reactions of adamantanonimines with acetone cyanohydrin or of adamantanone cyanohydrin with aliphatic amines, are considered. The products can be used for preparing new biologically active substances, unsymmetrical adamantyl-containing diamines or amino acids.