3,3'-(1,4-Phenylene)bis[5-(tridecafluorohexyl)-1,2,4-oxadiazole] | 146304-71-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3,3'-(1,4-Phenylene)bis[5-(tridecafluorohexyl)-1,2,4-oxadiazole]
• 英文别名: 5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-3-[4-[5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole
• CAS: 146304-71-4
• 化学式: C₂₂H₄F₂₆N₄O₂
• 分子量: 850.258
• InChiKey: ZTSUPFXJRAWYNA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.2
• 重原子数：
  54
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  77.8
• 氢给体数：
  0
• 氢受体数：
  32

反应信息

• 作为产物：
  描述：

  [(Z)-[amino-[4-[(Z)-N'-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanimidoyloxy)carbamimidoyl]phenyl]methylidene]amino] 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanimidate 在 吡啶 、 Heptanoylfluorid 作用下， 反应 2.0h， 以85%的产率得到3,3'-(1,4-Phenylene)bis[5-(tridecafluorohexyl)-1,2,4-oxadiazole]
  参考文献：
  名称：

  Reaction of perfluorinated nitriles with benz-and terephthalamidoximes for the isolation of mixed 1,2,4-oxadiazoles

  摘要：

  The reaction of perfluorinated nitriles with benz- and terephthalamidoximes afforded amidoximimidates which can form mixed 1,2,4-oxadiazoles in high yield under mild conditions by the action of acid fluorides of perfluorocarboxylic acids. The structure of the compounds obtained was confirmed by the methods of C-13, F-19, and H-1 NMR, and by IR spectroscopy.

  DOI：

  10.1007/bf00864345