1-(2,4,5-trifluorophenyl)-4-methylpiperazine | 1424273-40-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 1-(2,4,5-trifluorophenyl)-4-methylpiperazine
• 英文别名: 1-Methyl-4-(2,4,5-trifluorophenyl)piperazine
• CAS: 1424273-40-4
• 化学式: C₁₁H₁₃F₃N₂
• 分子量: 230.233
• InChiKey: HNPTYKJOBMTFOH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  6.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  N-甲基哌嗪 、 1,2,4,5-四氟苯 在 potassium carbonate 作用下， 以 N-甲基吡咯烷酮 为溶剂， 反应 1.0h， 以90%的产率得到1-(2,4,5-trifluorophenyl)-4-methylpiperazine
  参考文献：
  名称：

  Microwave-assisted amination from fluorobenzenes without catalyst and strong base

  摘要：

  A facile and versatile amination of fluorobenzenes has been developed in good to excellent yields under microwave irradiation in N-methylpyrrolidinone (NMP) without strong base and catalyst. The presence of additional halogen atom(s) enhanced the leaving ability of fluorine and meta fluorine gave higher activation than the ortho. It is remarkable that 1,2,3-trifluorobenzene, 1,2,4-trifluorobenzene and 1,2,4,5-tetrafluorobenzene can produce the regioselective mono-substituted products. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2012.12.001

文献信息

• USRE44205E1
  申请人：——

  公开号：USRE44205E1

  公开（公告）日：2013-05-07
• Microwave-assisted amination from fluorobenzenes without catalyst and strong base
  作者：Xiangguo Meng、Zhengyan Cai、Sa Xiao、Weicheng Zhou

  DOI：10.1016/j.jfluchem.2012.12.001

  日期：2013.2

  A facile and versatile amination of fluorobenzenes has been developed in good to excellent yields under microwave irradiation in N-methylpyrrolidinone (NMP) without strong base and catalyst. The presence of additional halogen atom(s) enhanced the leaving ability of fluorine and meta fluorine gave higher activation than the ortho. It is remarkable that 1,2,3-trifluorobenzene, 1,2,4-trifluorobenzene and 1,2,4,5-tetrafluorobenzene can produce the regioselective mono-substituted products. (C) 2012 Elsevier B.V. All rights reserved.