2-[[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethylethanamine | 1351946-12-7

• 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-[[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethylethanamine
• CAS: 1351946-12-7
• 化学式: C₁₂H₁₄Cl₂N₄S
• 分子量: 317.242
• InChiKey: ZMZXLKMRZQONEO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 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：

  1-(2,4-dichlorobenzoyl) thiosemicarbazide 在 potassium carbonate 、 potassium iodide 、 sodium hydroxide 作用下， 以 丙酮 为溶剂， 反应 10.0h， 生成 2-[[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethylethanamine
  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