2-氯-N-(4-甲氧基苯基)-5-(三氟甲基)嘧啶-4-胺 | 511244-75-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-氯-N-(4-甲氧基苯基)-5-(三氟甲基)嘧啶-4-胺
• 英文名称: 2-chloro-N-(4-methoxyphenyl)-5-(trifluoromethyl)pyrimidin-4-amine
• CAS: 511244-75-0
• 化学式: C₁₂H₉ClF₃N₃O
• 分子量: 303.671
• InChiKey: XSTANTHLCFBRIW-UHFFFAOYSA-N

物化性质

• 沸点：
  411.6±45.0 °C(Predicted)
• 密度：
  1.436±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  47
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  甲氧苯胺 、 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， 以72%的产率得到(4-chloro-5-trifluoromethyl-pyrimidin-2-yl)-(4-methoxyphenyl)-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

文献信息

• Selective addition of amines to 5-trifluoromethyl-2,4-dichloropyrimidine induced by Lewis acids
  作者：Daniel T. Richter、John C. Kath、Michael J. Luzzio、Nandell Keene、Martin A. Berliner、Matthew D. Wessel

  DOI：10.1016/j.tetlet.2013.06.025

  日期：2013.8

  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.