噻唑并[3,2-b][1,2,4]三唑-5-羧酸,2-(4-乙氧基-3,5-二甲氧苯基)-6-甲基-,乙基酯 | 140405-95-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 噻唑并[3,2-b][1,2,4]三唑-5-羧酸,2-(4-乙氧基-3,5-二甲氧苯基)-6-甲基-,乙基酯
• 英文名称: 2-(4-Ethoxy-3,5-dimethoxy-phenyl)-6-methyl-thiazolo[3,2-b][1,2,4]triazole-5-carboxylic acid ethyl ester
• 英文别名: Ethyl 2-(4-ethoxy-3,5-dimethoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazole-5-carboxylate；ethyl 2-(4-ethoxy-3,5-dimethoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazole-5-carboxylate
• CAS: 140405-95-4
• 化学式: C₁₈H₂₁N₃O₅S
• 分子量: 391.448
• InChiKey: YVLWYLNVJNTPMJ-UHFFFAOYSA-N

物化性质

• 密度：
  1.34±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  27
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  112
• 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 、 2-氯乙酰乙酸乙酯 以 乙醇 为溶剂， 以67%的产率得到噻唑并[3,2-b][1,2,4]三唑-5-羧酸,2-(4-乙氧基-3,5-二甲氧苯基)-6-甲基-,乙基酯
  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.