1-(4-Nitro-phenyl)-2-[5-(3,4,5-trimethoxy-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-ethanone | 140406-02-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(4-Nitro-phenyl)-2-[5-(3,4,5-trimethoxy-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-ethanone
• 英文别名: 1-(4-nitrophenyl)-2-[[5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone
• CAS: 140406-02-6
• 化学式: C₁₉H₁₈N₄O₆S
• 分子量: 430.441
• InChiKey: ZSIFZGLNAJKMJT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  30
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  157
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  1-(4-Nitro-phenyl)-2-[5-(3,4,5-trimethoxy-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-ethanone 在 三氯氧磷 作用下， 以 xylene 为溶剂， 以50%的产率得到5-(4-Nitro-phenyl)-3-(3,4,5-trimethoxy-phenyl)-thiazolo[2,3-c][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
• 作为产物：
  描述：

  2-溴-4'-硝基苯乙酮 、 3-(3,4,5-trimethoxyphenyl)-4H-5-mercapto-1,2,4-triazole 在 甲醇 、 氢氧化钾 作用下， 反应 0.5h， 以78%的产率得到1-(4-Nitro-phenyl)-2-[5-(3,4,5-trimethoxy-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-ethanone
  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