1-(2-pyridyl)-4-tritylpiperazine | 854159-11-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: 1-(2-pyridyl)-4-tritylpiperazine
• 英文别名: 1-Pyridin-2-yl-4-tritylpiperazine
• CAS: 854159-11-8
• 化学式: C₂₈H₂₇N₃
• 分子量: 405.542
• InChiKey: PKJSDSCGXIXSMD-UHFFFAOYSA-N

物化性质

• 熔点：
  200 °C
• 沸点：
  539.0±50.0 °C(Predicted)
• 密度：
  1.154±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  19.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(2-pyridyl)-4-tritylpiperazine 在 正丁基锂 、 N,N-二甲基乙醇胺 、 三氟乙酸 作用下， 以 正己烷 、 二氯甲烷 、 甲苯 为溶剂， 反应 3.0h， 生成 1-(6-溴-2-吡啶基)哌嗪
  参考文献：
  名称：

  First selective lithiation of pyridylpiperazines: straightforward access to potent pharmacophores

  摘要：

  The three isomers of pyridylpiperazines have been lithiated for the first time. The use of a superbase, an aminoalkoxide containing lithiating agent overcomes the chelating influence of the basic piperazine nitrogens, so that selective mono lithiation occurred alpha to pyridine nitrogen. This methodology offers a new access to diverse potent pharmacophores not easily prepared by other routes. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2005.03.026
• 作为产物：
  描述：

  1-(2-吡啶基)哌嗪 、 三苯基氯甲烷 在 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 6.0h， 以94%的产率得到1-(2-pyridyl)-4-tritylpiperazine
  参考文献：
  名称：

  First selective lithiation of pyridylpiperazines: straightforward access to potent pharmacophores

  摘要：

  The three isomers of pyridylpiperazines have been lithiated for the first time. The use of a superbase, an aminoalkoxide containing lithiating agent overcomes the chelating influence of the basic piperazine nitrogens, so that selective mono lithiation occurred alpha to pyridine nitrogen. This methodology offers a new access to diverse potent pharmacophores not easily prepared by other routes. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2005.03.026

文献信息

• First selective lithiation of pyridylpiperazines: straightforward access to potent pharmacophores
  作者：Frédéric Louërat、Philippe Gros、Yves Fort

  DOI：10.1016/j.tet.2005.03.026

  日期：2005.5

  The three isomers of pyridylpiperazines have been lithiated for the first time. The use of a superbase, an aminoalkoxide containing lithiating agent overcomes the chelating influence of the basic piperazine nitrogens, so that selective mono lithiation occurred alpha to pyridine nitrogen. This methodology offers a new access to diverse potent pharmacophores not easily prepared by other routes. (c) 2005 Elsevier Ltd. All rights reserved.