6-Methyl-2-(3,4,5-trimethoxy-phenyl)-thiazolo[3,2-b][1,2,4]triazole-5-carboxylic acid ethyl ester | 140405-93-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 6-Methyl-2-(3,4,5-trimethoxy-phenyl)-thiazolo[3,2-b][1,2,4]triazole-5-carboxylic acid ethyl ester
• 英文别名: Ethyl 6-methyl-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole-5-carboxylate；ethyl 6-methyl-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole-5-carboxylate
• CAS: 140405-93-2
• 化学式: C₁₇H₁₉N₃O₅S
• 分子量: 377.421
• InChiKey: NBHLPSZVQNNNKZ-UHFFFAOYSA-N

物化性质

• 密度：
  1.37±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  26
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 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：

  2-氯乙酰乙酸乙酯 、 3-(3,4,5-trimethoxyphenyl)-4H-5-mercapto-1,2,4-triazole 以 乙醇 为溶剂， 以75%的产率得到6-Methyl-2-(3,4,5-trimethoxy-phenyl)-thiazolo[3,2-b][1,2,4]triazole-5-carboxylic acid ethyl ester
  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