2-phenyl-5-p-tolyl-1,2-dihydro-3H-1,2,4-triazole-3-selone | 905996-51-2

• 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-phenyl-5-p-tolyl-1,2-dihydro-3H-1,2,4-triazole-3-selone
• CAS: 905996-51-2
• 化学式: C₁₅H₁₃N₃Se
• 分子量: 314.248
• InChiKey: DYIWNCPFJXRKKP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.88
• 重原子数：
  19.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  33.61
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  2-phenyl-5-p-tolyl-1,2-dihydro-3H-1,2,4-triazole-3-selone 、 碘乙烷 以 二甲基亚砜 为溶剂， 反应 1.0h， 以61%的产率得到3-ethylseleno-2-phenyl-5-p-tolyl-1H-1,2,4-triazole
  参考文献：
  名称：

  Synthesis of Selenosemicarbazides and 1,2,4-Triazoles

  摘要：

  Acyl isoselenocyanates (1) were prepared from KSeCN and acyl chlorides in situ. Reactions of the acyl isoselenocyanates (1) with phenylhydrazine gave 2-phenyl-1,2-dihydro-3H-1,2,4-triazole-3-selones (2) and selenosemicarbazides (3). The obtained selenosemicarbazides (3) were refluxed in the presence of triethylamine in THF and trapped with alkyl halides to obtain the corresponding 3-alkylseleno-1-phenyl-1H-1,2,4-triazoles (5) in moderate yields.

  DOI：

  10.3987/com-06-10725
• 作为产物：
  描述：

  对甲基苯甲酰氯 、 alkaline earth salt of/the/ methylsulfuric acid 以 四氢呋喃 为溶剂， 反应 0.42h， 生成 2-phenyl-5-p-tolyl-1,2-dihydro-3H-1,2,4-triazole-3-selone
  参考文献：
  名称：

  Synthesis of Selenosemicarbazides and 1,2,4-Triazoles

  摘要：

  Acyl isoselenocyanates (1) were prepared from KSeCN and acyl chlorides in situ. Reactions of the acyl isoselenocyanates (1) with phenylhydrazine gave 2-phenyl-1,2-dihydro-3H-1,2,4-triazole-3-selones (2) and selenosemicarbazides (3). The obtained selenosemicarbazides (3) were refluxed in the presence of triethylamine in THF and trapped with alkyl halides to obtain the corresponding 3-alkylseleno-1-phenyl-1H-1,2,4-triazoles (5) in moderate yields.

  DOI：

  10.3987/com-06-10725