4-(4-Bromo-phenyl)-5-(4-hydroxy-phenyl)-2,4-dihydro-[1,2,4]triazole-3-thione | 342785-53-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-(4-Bromo-phenyl)-5-(4-hydroxy-phenyl)-2,4-dihydro-[1,2,4]triazole-3-thione
• 英文别名: 4-(4-bromophenyl)-3-(4-hydroxyphenyl)-1H-1,2,4-triazole-5-thione
• CAS: 342785-53-9
• 化学式: C₁₄H₁₀BrN₃OS
• 分子量: 348.223
• InChiKey: DLUHGSMMCFOLJV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  80
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(4-Bromo-phenyl)-5-(4-hydroxy-phenyl)-2,4-dihydro-[1,2,4]triazole-3-thione 、 聚合甲醛 、 1-(4-氟苯基)哌嗪 以 甲醇 、 水 为溶剂， 反应 1.0h， 以35%的产率得到4-(4-Bromophenyl)-2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-(4-hydroxyphenyl)-1,2,4-triazole-3-thione
  参考文献：
  名称：

  Synthesis and Tuberculostatic Activity of Some 2-Piperazinmethylene Derivatives 1,2,4-Triazole-3-Thiones

  摘要：

  The Mannich. reaction's products of 1,2,4-triazole-3-thiones, substituted in position 4 (with ethyl, allyl, phenyl, Ph-4-Br) or 5 (with phenyl, Ph-4-OH, Ph-3,4,5-(OMe)(3), 2-phenyl) were obtained. Their amino-components were 1-phenylpiperazine, 1-(4-fluorophenyl)-piperazine, 1-benzylpiperazine, 1-(2-pyridyl)-piperazine and 1-piperonyl-piperazine. Tuberculostatic activity of the compounds obtained was tested in vitro and their MIC values within 25-100 mcg/mL.

  DOI：

  10.1080/104265090517280
• 作为产物：
  描述：

  4-溴苯基异硫氰酸酯 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 2.5h， 生成 4-(4-Bromo-phenyl)-5-(4-hydroxy-phenyl)-2,4-dihydro-[1,2,4]triazole-3-thione
  参考文献：
  名称：

  Synthesis and Tuberculostatic Activity of Some 2-Piperazinmethylene Derivatives 1,2,4-Triazole-3-Thiones

  摘要：

  The Mannich. reaction's products of 1,2,4-triazole-3-thiones, substituted in position 4 (with ethyl, allyl, phenyl, Ph-4-Br) or 5 (with phenyl, Ph-4-OH, Ph-3,4,5-(OMe)(3), 2-phenyl) were obtained. Their amino-components were 1-phenylpiperazine, 1-(4-fluorophenyl)-piperazine, 1-benzylpiperazine, 1-(2-pyridyl)-piperazine and 1-piperonyl-piperazine. Tuberculostatic activity of the compounds obtained was tested in vitro and their MIC values within 25-100 mcg/mL.

  DOI：

  10.1080/104265090517280