1-(2,3,5,6-tetrafluoro-4-nitrophenyl)-1H-benzo[d][1,2,3]triazole | 1268615-00-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-(2,3,5,6-tetrafluoro-4-nitrophenyl)-1H-benzo[d][1,2,3]triazole
• 英文别名: 1-(2,3,5,6-Tetrafluoro-4-nitrophenyl)benzotriazole；1-(2,3,5,6-tetrafluoro-4-nitrophenyl)benzotriazole
• CAS: 1268615-00-4
• 化学式: C₁₂H₄F₄N₄O₂
• 分子量: 312.183
• InChiKey: APWRSGQOJFCXTD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  22
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  76.5
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  T406石油添加剂 、 五氟硝基苯 在 三乙胺 作用下， 以 乙腈 为溶剂， 反应 0.5h， 以24%的产率得到1-(2,3,5,6-tetrafluoro-4-nitrophenyl)-1H-benzo[d][1,2,3]triazole
  参考文献：
  名称：

  Solvent controlled regioselective reaction of 1,2,3-benzotriazole (BtH) with pentafluorobenzene derivatives

  摘要：

  Regioselective reaction of 1,2,3-benzotriazole (BtH) with pentafluorobenzene derivatives under base conditions was investigated and its regioselectivity strongly depends on solvent, base, and electron-withdrawing group at 4-position on the perfluorophenyl ring. Several Bt(N1)-substituted perfluorobenzenes were prepared by using this method. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.12.016

文献信息

• Solvent controlled regioselective reaction of 1,2,3-benzotriazole (BtH) with pentafluorobenzene derivatives
  作者：Jingwei Zhao、Tao Song、Shizheng Zhu、Liangzhong Xu

  DOI：10.1016/j.tet.2010.12.016

  日期：2011.2

  Regioselective reaction of 1,2,3-benzotriazole (BtH) with pentafluorobenzene derivatives under base conditions was investigated and its regioselectivity strongly depends on solvent, base, and electron-withdrawing group at 4-position on the perfluorophenyl ring. Several Bt(N1)-substituted perfluorobenzenes were prepared by using this method. (C) 2010 Elsevier Ltd. All rights reserved.