2-(4-morpholinyl)-4,6-bis(trifluoromethyl)benzonitrile

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: 2-(4-morpholinyl)-4,6-bis(trifluoromethyl)benzonitrile
• 英文别名: 2-Morpholin-4-yl-4,6-bis(trifluoromethyl)benzonitrile
• 化学式: C₁₃H₁₀F₆N₂O
• 分子量: 324.226
• InChiKey: YWOODSWBYDUJFF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  22
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  36.3
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  (2E)-3-(4-吗啉基)-2-丁烯腈 、 六氟乙酰丙酮 以 苯 、 丙酮 为溶剂， 反应 240.0h， 以25%的产率得到2-(4-morpholinyl)-4,6-bis(trifluoromethyl)benzonitrile
  参考文献：
  名称：

  Synthesis of functionalized m-bistrifluoromethylbenzenes via cyclocondensation of 1,1,1,5,5,5-hexafluoroacetylacetone with enamines

  摘要：

  The reaction of 1,1,1,5,5,5-hexafluoroacetylacetone with push-pull enamines having a methyl group at the alpha-position was investigated. It was found that the reaction is sensitive both to the structure of enamines and to reaction conditions. As a result, a set of bistrifluoromethyldialkylanilines and ethyl bistrifluoromethylsalicylate was prepared. Plausible mechanisms and factors influencing the course of the reaction are discussed. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2005.01.075

文献信息

• Synthesis of functionalized m-bistrifluoromethylbenzenes via cyclocondensation of 1,1,1,5,5,5-hexafluoroacetylacetone with enamines
  作者：Dmitriy M. Volochnyuk、Alexander N. Kostyuk、Dmitriy A. Sibgatulin、Alexander N. Chernega

  DOI：10.1016/j.tet.2005.01.075

  日期：2005.3

  The reaction of 1,1,1,5,5,5-hexafluoroacetylacetone with push-pull enamines having a methyl group at the alpha-position was investigated. It was found that the reaction is sensitive both to the structure of enamines and to reaction conditions. As a result, a set of bistrifluoromethyldialkylanilines and ethyl bistrifluoromethylsalicylate was prepared. Plausible mechanisms and factors influencing the course of the reaction are discussed. (c) 2005 Elsevier Ltd. All rights reserved.