噻唑并[3,2-b][1,2,4]三唑,2-(1,3-苯并二噁唑-5-基)-6-(4-氯苯基)- | 140405-77-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 中文名称: 噻唑并[3,2-b][1,2,4]三唑,2-(1,3-苯并二噁唑-5-基)-6-(4-氯苯基)-
• 英文名称: 2-(1,3-Benzodioxol-5-yl)-6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole
• 英文别名: 2-(1,3-benzodioxol-5-yl)-6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole
• CAS: 140405-77-2
• 化学式: C₁₇H₁₀ClN₃O₂S
• 分子量: 355.804
• InChiKey: CNDRTUTXZKLFGA-UHFFFAOYSA-N

物化性质

• 密度：
  1.61±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  76.9
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-(3,4-diossimetilenefenil)-5-mercapto-4H-1,2,4-triazolo 在 盐酸 、 甲醇 、 氢氧化钾 作用下， 以 乙醇 为溶剂， 反应 5.5h， 生成 噻唑并[3,2-b][1,2,4]三唑,2-(1,3-苯并二噁唑-5-基)-6-(4-氯苯基)-
  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.