1-(2-chloro,3-fluorophenyl)-1H-1,2,3,4-tetrazole | 1160484-42-3

• 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-chloro,3-fluorophenyl)-1H-1,2,3,4-tetrazole
• 英文别名: 1-(2-Chloro-3-fluorophenyl)tetrazole；1-(2-chloro-3-fluorophenyl)tetrazole
• CAS: 1160484-42-3
• 化学式: C₇H₄ClFN₄
• 分子量: 198.587
• InChiKey: CLZOYXSFJPBDPX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  43.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-氯-3-氟苯胺 、 原甲酸三甲酯 在 indium(III) triflate 、 sodium azide 作用下， 反应 2.5h， 以84%的产率得到1-(2-chloro,3-fluorophenyl)-1H-1,2,3,4-tetrazole
  参考文献：
  名称：

  Indium triflate-catalyzed one-pot synthesis of 1-substituted-1H-1,2,3,4-tetrazoles under solvent-free conditions

  摘要：

  A simple, efficient, and general method has been developed for the synthesis of 1-substituted-1H-1,2,3,4-tetrazoles via a three-component condensation of amine, trimethyl orthoformate, and sodium azide in presence of a catalytic amount of indium triflate under solvent-free conditions. The reaction proceeds smoothly to generate the corresponding 1-substituted tetrazoles in moderate to excellent yields under heating. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.03.131

文献信息

• Indium triflate-catalyzed one-pot synthesis of 1-substituted-1H-1,2,3,4-tetrazoles under solvent-free conditions
  作者：Dhiman Kundu、Adinath Majee、Alakananda Hajra

  DOI：10.1016/j.tetlet.2009.03.131

  日期：2009.6

  A simple, efficient, and general method has been developed for the synthesis of 1-substituted-1H-1,2,3,4-tetrazoles via a three-component condensation of amine, trimethyl orthoformate, and sodium azide in presence of a catalytic amount of indium triflate under solvent-free conditions. The reaction proceeds smoothly to generate the corresponding 1-substituted tetrazoles in moderate to excellent yields under heating. (C) 2009 Elsevier Ltd. All rights reserved.