2-vinyl-5-trifluoromethyl-[1,3,4]oxadiazole | 939403-60-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-vinyl-5-trifluoromethyl-[1,3,4]oxadiazole
• 英文别名: 2-trifluoromethyl-5-vinyl-1,3,4-oxadiazole；2-vinyl-5-trifluoromethyl-1,3,4-oxadiazole；2-Ethenyl-5-(trifluoromethyl)-1,3,4-oxadiazole
• CAS: 939403-60-8
• 化学式: C₅H₃F₃N₂O
• 分子量: 164.087
• InChiKey: NEAGCXJMLGLNFF-UHFFFAOYSA-N

物化性质

• 沸点：
  40 °C(Press: 150 Torr)
• 密度：
  1.32 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  38.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  5-vinyl-1,2,3,4-tetrazole 、 三氟乙酸酐 以 二氯甲烷 为溶剂， 以95%的产率得到2-vinyl-5-trifluoromethyl-[1,3,4]oxadiazole
  参考文献：
  名称：

  Synthesis and properties of carbon-chain polymers with pendant 1,3,4-oxadiazole rings

  摘要：

  Carbon-chain polymers with 1,3,4-oxadiazole rings were prepared by radical polymerization and polymer-analogous transformations. The kinetic relationships of the polymerization of vinyl-1,3,4-oxadiazole monomers and some properties of the resulting polymers were studied. The thermodynamics of interaction of poly-2-vinyl-5-methyl-1,3,4-oxadiazole, a nonionic water-soluble polymer, with water was examined.

  DOI：

  10.1134/s107042720607024x

文献信息

• Reaction of 5-Substituted tetrazoles with trifluoroacetic anhydride
  作者：L. I. Vereshchagin、O. N. Verkhozina、F. A. Pokatilov、S. K. Strunevich、A. G. Proidakov、V. N. Kizhnyaev

  DOI：10.1134/s1070428007110218

  日期：2007.11

  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.
• 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