2,4-bis(trifluoromethyl)-6-(2-thienyl)pyrimidine

• 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: 2,4-bis(trifluoromethyl)-6-(2-thienyl)pyrimidine
• 英文别名: 6-(2-Thienyl)-2,4-bis(trifluoromethyl)pyrimidine；4-thiophen-2-yl-2,6-bis(trifluoromethyl)pyrimidine
• 化学式: C₁₀H₄F₆N₂S
• 分子量: 298.212
• InChiKey: MIXAWDWSEXAZSS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  54
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  三氟乙腈 、 Isopropyl-[1-thiophen-2-yl-eth-(E)-ylidene]-amine 反应 24.0h， 以45%的产率得到2,4-bis(trifluoromethyl)-6-(2-thienyl)pyrimidine
  参考文献：
  名称：

  Reactions of aromatic methyl ketimines with halonitriles as a new route to pyrimidines with two polyhaloalkyl groups

  摘要：

  N-Isopropyl-(1-phenylethylidene)amine reacts with trichloroacetonitrile to give 1-azabutadiene derivative, which undergoes a double addition reaction with a variety of halonitriles affording fluoro- and chloro-containing pyrimidines. Pyrimidines with two poly-haloalkyl groups were obtained by the reaction of methyl ketimines with an excess of trichloroacetonitrile, trifluoroacetonitrile and 2,2,3,3-tetrafluoropropionitrile. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(01)01231-5

文献信息

• Reactions of aromatic methyl ketimines with halonitriles as a new route to pyrimidines with two polyhaloalkyl groups
  作者：Vyacheslav Ya Sosnovskikh、Boris I Usachev、Gerd-Volker Röschenthaler

  DOI：10.1016/s0040-4020(01)01231-5

  日期：2002.2

  N-Isopropyl-(1-phenylethylidene)amine reacts with trichloroacetonitrile to give 1-azabutadiene derivative, which undergoes a double addition reaction with a variety of halonitriles affording fluoro- and chloro-containing pyrimidines. Pyrimidines with two poly-haloalkyl groups were obtained by the reaction of methyl ketimines with an excess of trichloroacetonitrile, trifluoroacetonitrile and 2,2,3,3-tetrafluoropropionitrile. (C) 2002 Elsevier Science Ltd. All rights reserved.