1-(4-aminophenyl)-3-propoxy-1H-1,2,4-triazole | 158895-51-3

• 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-aminophenyl)-3-propoxy-1H-1,2,4-triazole
• 英文别名: 4-(3-Propoxy-1,2,4-triazol-1-yl)aniline
• CAS: 158895-51-3
• 化学式: C₁₁H₁₄N₄O
• 分子量: 218.258
• InChiKey: RHJQYVHYDZEKPT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  66
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(4-aminophenyl)-3-propoxy-1H-1,2,4-triazole 在 氯甲酸乙酯 、 三乙胺 作用下， 以 氯仿 、 丙酮 、 苯 为溶剂， 反应 6.0h， 生成 1-[4-(3-Propoxy-[1,2,4]triazol-1-yl)-phenyl]-3-pyrazin-2-yl-thiourea
  参考文献：
  名称：

  Synthesis and anti-myxovirus activity of some novel N,N′-disubstituted thioureas

  摘要：

  A series of new N,N'-disubstituted thioureas were prepared and evaluated in vitro for their activity against myxoviruses. Compound N-[4-(3-propoxy-1H-1,2,4-triazol-1-yl)phenyl]-Ar-(2-pyrazinyl)thiourea 5d exhibited specific activity against respiratory syncytial virus in HeLa cells. Compounds N-(1-adamantanyl)-N'-[4-(3-ethoxy-1H-1,2,4-triazol-1-yl)phenyl]thiourea 5g and N-(1-adamantanyl)-N'-[4-(3-propoxy-1H-1,2,4-triazol-1-yl)phenyl]thiourea 5h proved active against influenza A in Madin-Darby canine kidney (MDCK) cells and respiratory syncytial virus in HeLa cells.

  DOI：

  10.1016/0223-5234(94)90209-7
• 作为产物：
  描述：

  1-(4-nitrophenyl)-3-propoxy-1H-1,2,4-triazole 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 为溶剂， 25.0 ℃ 、101.32 kPa 条件下， 反应 6.0h， 生成 1-(4-aminophenyl)-3-propoxy-1H-1,2,4-triazole
  参考文献：
  名称：

  Synthesis and anti-myxovirus activity of some novel N,N′-disubstituted thioureas

  摘要：

  A series of new N,N'-disubstituted thioureas were prepared and evaluated in vitro for their activity against myxoviruses. Compound N-[4-(3-propoxy-1H-1,2,4-triazol-1-yl)phenyl]-Ar-(2-pyrazinyl)thiourea 5d exhibited specific activity against respiratory syncytial virus in HeLa cells. Compounds N-(1-adamantanyl)-N'-[4-(3-ethoxy-1H-1,2,4-triazol-1-yl)phenyl]thiourea 5g and N-(1-adamantanyl)-N'-[4-(3-propoxy-1H-1,2,4-triazol-1-yl)phenyl]thiourea 5h proved active against influenza A in Madin-Darby canine kidney (MDCK) cells and respiratory syncytial virus in HeLa cells.

  DOI：

  10.1016/0223-5234(94)90209-7