N-(4-bromo-2-(trifluoromethoxy)benzyl)piperidine-4-carboxamide | 1584224-47-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: N-(4-bromo-2-(trifluoromethoxy)benzyl)piperidine-4-carboxamide
• 英文别名: N-[[4-bromo-2-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide
• CAS: 1584224-47-4
• 化学式: C₁₄H₁₆BrF₃N₂O₂
• 分子量: 381.192
• InChiKey: WJOWSGTXHJBCFS-UHFFFAOYSA-N

物化性质

• 熔点：
  159-162 °C
• 沸点：
  464.3±45.0 °C(predicted)
• 密度：
  1.467±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  50.4
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N-(4-bromo-2-(trifluoromethoxy)benzyl)piperidine-4-carboxamide 、 4-氯-N,6-二甲基-1,3,5-三嗪-2-胺 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 以91%的产率得到1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-N-[(4-bromo-2-trifluoromethoxy-phenyl)methyl]-4-piperidinecarboxamide
  参考文献：
  名称：

  Lanthanum(III) Triflate Catalyzed Direct Amidation of Esters

  摘要：

  Lanthanum trifluoromethanesulfonate is an effective single-component catalyst for synthesizing a variety of amides directly from esters and amines under mild conditions. Highly selective amidation of esters and amines, as well as catalyst-controlled amidation of esters, demonstrated the effectiveness of the catalyst system.

  DOI：

  10.1021/ol500593v
• 作为产物：
  描述：

  哌啶-4-甲酸乙酯 、 1-{4-bromo-2-[(trifluoromethyl)oxy]phenyl}methanamine 在 lanthanum(lll) triflate 作用下， 反应 24.0h， 以86%的产率得到N-(4-bromo-2-(trifluoromethoxy)benzyl)piperidine-4-carboxamide
  参考文献：
  名称：

  Lanthanum(III) Triflate Catalyzed Direct Amidation of Esters

  摘要：

  Lanthanum trifluoromethanesulfonate is an effective single-component catalyst for synthesizing a variety of amides directly from esters and amines under mild conditions. Highly selective amidation of esters and amines, as well as catalyst-controlled amidation of esters, demonstrated the effectiveness of the catalyst system.

  DOI：

  10.1021/ol500593v

文献信息

• Lanthanum(III) Triflate Catalyzed Direct Amidation of Esters
  作者：Hiroyuki Morimoto、Risa Fujiwara、Yuhei Shimizu、Kazuhiro Morisaki、Takashi Ohshima

  DOI：10.1021/ol500593v

  日期：2014.4.4

  Lanthanum trifluoromethanesulfonate is an effective single-component catalyst for synthesizing a variety of amides directly from esters and amines under mild conditions. Highly selective amidation of esters and amines, as well as catalyst-controlled amidation of esters, demonstrated the effectiveness of the catalyst system.