3-ethoxy-1-(4-nitrophenyl)-1H-1,2,4-triazole | 158895-48-8

• 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-ethoxy-1-(4-nitrophenyl)-1H-1,2,4-triazole
• 英文别名: 3-Ethoxy-1-(4-nitrophenyl)-1,2,4-triazole
• CAS: 158895-48-8
• 化学式: C₁₀H₁₀N₄O₃
• 分子量: 234.214
• InChiKey: MFTLJKJVHLSQSE-UHFFFAOYSA-N

物化性质

• 沸点：
  413.9±47.0 °C(Predicted)
• 密度：
  1.39±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  85.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-ethoxy-1-(4-nitrophenyl)-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 4-(3-乙氧基-1H-1,2,4-三唑-1-基)苯胺
  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：

  (4-硝基苯胺基)脲 在 硫酸 、 sodium hydride 作用下， 反应 14.33h， 生成 3-ethoxy-1-(4-nitrophenyl)-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