1,2-bis(5-trifluoromethyl-1,3,4-oxadiazol-2-yl)ethane | 1057963-55-9

• 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-bis(5-trifluoromethyl-1,3,4-oxadiazol-2-yl)ethane
• 英文别名: 1,2-Bis(5-trifluoromethyl-1,3,4-oxadiazol-2-yl)-ethane；2-(trifluoromethyl)-5-[2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,3,4-oxadiazole
• CAS: 1057963-55-9
• 化学式: C₈H₄F₆N₄O₂
• 分子量: 302.136
• InChiKey: DTISPOXHEAITOP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  77.8
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  1,2-bis(5-tetrazolyl)ethane 、 三氟乙酸酐 以 二氯甲烷 为溶剂， 以60%的产率得到1,2-bis(5-trifluoromethyl-1,3,4-oxadiazol-2-yl)ethane
  参考文献：
  名称：

  Reaction of 5-Substituted tetrazoles with trifluoroacetic anhydride

  摘要：

  5-Substituted tetrazoles readily react with trifluoroacetic anhydride at 20-25 degrees C to give the corresponding 2-substituted 5-trifluoromethyl-1,3,4-oxadiazoles, in contrast to published data according to which the title compounds are converted into 1,3,4-oxadiazole derivatives on heating with carboxylic acid anhydrides or chlorides at 100-120 degrees C. The reaction is governed not only by the rate of acylation of the tetrazole ring and temperature conditions but also by the stability of intermediate N-acyltetrazoles.

  DOI：

  10.1134/s1070428007110218

文献信息

• Synthesis of 2-substituted 5-trifluoromethyl-1,3,4-oxadiazoles
  作者：L. I. Vereshchagin、O. N. Verkhozina、F. A. Pokatilov、V. N. Kizhnyaev

  DOI：10.1134/s1070428007100338

  日期：2007.10