4-(2-(2,2,2-trifluoroethoxy)acetyl)benzonitrile

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-(2-(2,2,2-trifluoroethoxy)acetyl)benzonitrile
• 英文别名: 4-[2-(2,2,2-Trifluoroethoxy)acetyl]benzonitrile
• 化学式: C₁₁H₈F₃NO₂
• mdl: MFCD12062598
• 分子量: 243.185
• InChiKey: WJIBDDHABRQUTJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.272
• 拓扑面积：
  50.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2,2,2-三氟乙醇 、 2-溴-4'-氰基苯乙酮 在 caesium carbonate 作用下， 以 二乙二醇二甲醚 为溶剂， 反应 2.0h， 以12%的产率得到4-(2-(2,2,2-trifluoroethoxy)acetyl)benzonitrile
  参考文献：
  名称：

  Synthesis of α-trifluoroethoxy-substituted ketones

  摘要：

  A mild and straight-forward synthesis of alpha-trifluoroethoxy-substituted ketones from the trifluoroethoxylation of alpha-bromoketones with trifluoroethanol, under Cs2CO3-mediated conditions at room temperature, is described. The utility of this reaction for the synthesis of the trifluoroethoxy-substituted alcohols and pyrazoles is also showed. The reaction tolerates various functional groups and demonstrates efficient scalability and practicality. (C) 2015 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2015.03.009

文献信息

• Synthesis of α-trifluoroethoxy-substituted ketones
  作者：Yuguang Wang、Yi You、Zhiqiang Weng

  DOI：10.1016/j.jfluchem.2015.03.009

  日期：2015.7

  A mild and straight-forward synthesis of alpha-trifluoroethoxy-substituted ketones from the trifluoroethoxylation of alpha-bromoketones with trifluoroethanol, under Cs2CO3-mediated conditions at room temperature, is described. The utility of this reaction for the synthesis of the trifluoroethoxy-substituted alcohols and pyrazoles is also showed. The reaction tolerates various functional groups and demonstrates efficient scalability and practicality. (C) 2015 Elsevier B.V. All rights reserved.