1,4,5-triphenyl-1,3,4-triazolum-2-selenolate | 60308-44-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1,4,5-triphenyl-1,3,4-triazolum-2-selenolate
• 英文别名: 1,4,5-Triphenyl-1,3,4-triazolium-2-selenolat；1,4,5-triphenyl-1,2,4-triazol-4-ium-3-selenolate
• CAS: 60308-44-3
• 化学式: C₂₀H₁₅N₃Se
• 分子量: 376.319
• InChiKey: KXWREIKRVGBWOW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.61
• 重原子数：
  24.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  21.7
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  phenyl isoselenocyanate 以 1,4-二氧六环 、 甲苯 为溶剂， 反应 20.0h， 生成 1,4,5-triphenyl-1,3,4-triazolum-2-selenolate
  参考文献：
  名称：

  SYNTHESIS AND CHARACTERIZATION OF MESOIONIC 1,3,4-TRIAZOLIUM-2-SELENOLATES

  摘要：

  A new improved synthesis of mesoionic 1,3,4-triazolium-2-selenolates is described and three new members of the series thus obtained. They were characterized by Elemental Analysis, I.R., H-1 and C-13 NMR and Mass Spectra. The data obtained have been discussed. The chemical shifts at C-2 in the negative region and at C-5 in the positive region were compared with data for corresponding mesoionic-2-thiolates. Our data were also compared with available data for some related classes of mesoionic compounds.

  DOI：

  10.1080/10426500008042099