2-(4-Ethoxy-3,5-dimethoxyphenyl)-6-(4-nitrophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole | 140405-89-6

• 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-(4-Ethoxy-3,5-dimethoxyphenyl)-6-(4-nitrophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole
• 英文别名: 2-(4-ethoxy-3,5-dimethoxyphenyl)-6-(4-nitrophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole
• CAS: 140405-89-6
• 化学式: C₂₀H₁₈N₄O₅S
• 分子量: 426.453
• InChiKey: WZMAMRHPSIQFBI-UHFFFAOYSA-N

物化性质

• 密度：
  1.43±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  132
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  5-(4-Ethoxy-3,5-dimethoxy-phenyl)-4H-[1,2,4]triazole-3-thiol 在 盐酸 、 甲醇 、 氢氧化钾 作用下， 以 乙醇 为溶剂， 反应 5.5h， 生成 2-(4-Ethoxy-3,5-dimethoxyphenyl)-6-(4-nitrophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole
  参考文献：
  名称：

  Synthesis and biological evaluation of thiazolo-triazole derivatives

  摘要：

  Two series of isomeric thiazolo[3,2-b][1,2,4]triazole and thiazolo[2,3-c][1,2,4]triazole derivatives were prepared following multiple synthetic pathways. The obtained compounds were submitted to preliminar pharmacological assays to evaluate their anti-inflammatory, analgesic and antipyretic activity. Suggestions about structure-activity relationships between the two classes of isomers were delineated. Moreover, some of the starting molecules, phenacylthio[1,2,4]triazoles were submitted to microbiological analysis to test their antibacterial and antimycotic activity.

  DOI：

  10.1016/0223-5234(91)90135-a