2-Chloro-N-cyclohexyl-5-(trifluoromethyl)pyrimidin-4-amine | 1448795-06-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 2-Chloro-N-cyclohexyl-5-(trifluoromethyl)pyrimidin-4-amine
• 英文别名: 2-chloro-N-cyclohexyl-5-(trifluoromethyl)pyrimidin-4-amine
• CAS: 1448795-06-9
• 化学式: C₁₁H₁₃ClF₃N₃
• 分子量: 279.693
• InChiKey: GZYHWSXOSCQCHY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.89
• 重原子数：
  18.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  37.81
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  环己胺 、 2,4-二氯-5-三氟甲基嘧啶 在 zinc(II) chloride 、 三乙胺 作用下， 以 乙醚 、 1,2-二氯乙烷 、 叔丁醇 为溶剂， 生成 (4-chloro-5-trifluoromethyl-pyrimidin-2-yl)-cyclohexylamine 、 2-Chloro-N-cyclohexyl-5-(trifluoromethyl)pyrimidin-4-amine
  参考文献：
  名称：

  Selective addition of amines to 5-trifluoromethyl-2,4-dichloropyrimidine induced by Lewis acids

  摘要：

  A variety of 2,4-diamino-pyrimidine systems can be prepared from the corresponding 2,4-dichloropyrimidine by sequential addition of two amines, the first adding selectively to the 4-position. In contrast it was found that 2,4-dichloro-5-trifluoromethyl-pyrimidine yields a 1:1 mixture of the two possible isomers. Lewis acids were employed to increase the ratio of isomers to >10:1 in favor of the 2-addition product. Optimization of the effect of Lewis acid additives on this and other dichloropyrimidine systems will be discussed. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.06.025