2-[[5-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-nitrophenyl)ethanone | 140406-09-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-[[5-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-nitrophenyl)ethanone
• CAS: 140406-09-3
• 化学式: C₁₇H₁₂N₄O₅S
• 分子量: 384.372
• InChiKey: HMCHAEFMYKPUDM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  148
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  2-[[5-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-nitrophenyl)ethanone 在 盐酸 作用下， 以 乙醇 为溶剂， 反应 5.0h， 生成 2-(1,3-Benzodioxol-5-yl)-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
• 作为产物：
  描述：

  2-溴-4'-硝基苯乙酮 、 3-(3,4-diossimetilenefenil)-5-mercapto-4H-1,2,4-triazolo 在 甲醇 、 氢氧化钾 作用下， 反应 0.5h， 以86%的产率得到2-[[5-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-nitrophenyl)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

文献信息

• Synthesis and biological evaluation of thiazolo-triazole derivatives
  作者：R Pignatello、S Mazzone、AM Panico、G Mazzone、G Pennisi、R Castana、M Matera、G Blandino

  DOI：10.1016/0223-5234(91)90135-a

  日期：1991.12

  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.