3-(2-Diethylaminoethylthio)-5-phenyl-1(H)-1,2,4-triazol

• 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-(2-Diethylaminoethylthio)-5-phenyl-1(H)-1,2,4-triazol
• 英文别名: diethyl-[2-(5-phenyl-1H-[1,2,4]triazol-3-ylsulfanyl)-ethyl]-amine；N,N-diethyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamine
• 化学式: C₁₄H₂₀N₄S
• 分子量: 276.406
• InChiKey: SERNQHUIJZJVAK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  19
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  70.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  (苯甲酰基氨基)硫脲 在 potassium carbonate 、 potassium iodide 、 sodium hydroxide 作用下， 以 丙酮 为溶剂， 反应 10.0h， 生成 3-(2-Diethylaminoethylthio)-5-phenyl-1(H)-1,2,4-triazol
  参考文献：
  名称：

  Synthesis and antidepressant activity of di substituted-5-aryl-1,2,4-triazoles

  摘要：

  A series of 5-aryl-1H-1,2,4-triazole-3-thiol (3) were synthesized. Alkylation of thiol group with N,N-dimethyl/diethyl/dicyclo hexyl-(2-chloro ethyl) amine gave compounds N,N-disubstituted-2-(5-aryl-1H-1,2,4-triazol-3-ylthio)ethanamine (4). These compounds were characterized on the basis of IR, H-1 NMR, Mass spectral data, and elemental analysis. The newly synthesized compounds were screened for their antidepressant activity by using tail suspension test in mice.

  DOI：

  10.1007/s00044-011-9902-z

文献信息

• Synthesis and antidepressant activity of di substituted-5-aryl-1,2,4-triazoles
  作者：C. Radhika、A. Venkatesham、Manda Sarangapani

  DOI：10.1007/s00044-011-9902-z

  日期：2012.11

  A series of 5-aryl-1H-1,2,4-triazole-3-thiol (3) were synthesized. Alkylation of thiol group with N,N-dimethyl/diethyl/dicyclo hexyl-(2-chloro ethyl) amine gave compounds N,N-disubstituted-2-(5-aryl-1H-1,2,4-triazol-3-ylthio)ethanamine (4). These compounds were characterized on the basis of IR, H-1 NMR, Mass spectral data, and elemental analysis. The newly synthesized compounds were screened for their antidepressant activity by using tail suspension test in mice.