5-[2,3,5,6-tetrachloro-4-(2H-tetrazol-5-yl)phenyl]-2H-tetrazole | 1244467-05-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-[2,3,5,6-tetrachloro-4-(2H-tetrazol-5-yl)phenyl]-2H-tetrazole
• CAS: 1244467-05-7
• 化学式: C₈H₂Cl₄N₈
• 分子量: 351.969
• InChiKey: JTVLRFQHWPCIQS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  109
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  四氯对苯二甲腈 在 sodium azide 、 吡啶盐酸盐 、 水 、 sodium hydroxide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 以32%的产率得到5-[2,3,5,6-tetrachloro-4-(2H-tetrazol-5-yl)phenyl]-2H-tetrazole
  参考文献：
  名称：

  Amine Salt–Catalyzed Synthesis of 5-Substituted 1H-Tetrazoles from Nitriles

  摘要：

  The [3 + 2] cycloaddition reaction between sodium azide and various organic nitriles proceeds smoothly in the presence of amine salts as catalyst in dimethylformamide. The corresponding 5-substituted 1-H tetrazoles were obtained under mild condition in good to excellent yields. Supplemental materials are available for this article. Go to the publisher's online edition of Synthetic Communications (R) to view the free supplemental file.

  DOI：

  10.1080/00397910903318583

文献信息

• Amine Salt–Catalyzed Synthesis of 5-Substituted 1<i>H</i>-Tetrazoles from Nitriles
  作者：Yi Zhou、Cheng Yao、Renjie Ni、Gaowen Yang

  DOI：10.1080/00397910903318583

  日期：2010.8.5

  The [3 + 2] cycloaddition reaction between sodium azide and various organic nitriles proceeds smoothly in the presence of amine salts as catalyst in dimethylformamide. The corresponding 5-substituted 1-H tetrazoles were obtained under mild condition in good to excellent yields. Supplemental materials are available for this article. Go to the publisher's online edition of Synthetic Communications (R) to view the free supplemental file.