3-(2-hydroxyphenyl)-N,N,5-trimethyl-1H-1,2,4-triazol-1-sulfonamide | 1217042-83-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-(2-hydroxyphenyl)-N,N,5-trimethyl-1H-1,2,4-triazol-1-sulfonamide
• 英文别名: 3-(2-hydroxyphenyl)-N,N,5-trimethyl-1,2,4-triazole-1-sulfonamide
• CAS: 1217042-83-5
• 化学式: C₁₁H₁₄N₄O₃S
• 分子量: 282.323
• InChiKey: OSEARVNIYKHKNK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  96.7
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  6-(5-甲基-1,2-二氢-1,2,4-三唑-3-亚基)环己-2,4-二烯-1-酮 、 二甲胺基磺酰氯 在 吡啶 作用下， 以59%的产率得到3-(2-hydroxyphenyl)-N,N,5-trimethyl-1H-1,2,4-triazol-1-sulfonamide
  参考文献：
  名称：

  Reactions of hydroxyphenyl-substituted 1,2,4-triazoles with electrophylic reagents

  摘要：

  Reactions of hydroxyphenyl substituted 1,2,4-triazoles with various electrophylic reagents were studied. Despite of the presence of several nucleophilic centers in the molecule, the reactions were shown to proceed regioselectively, with the formation of N-substituted 3-(2-hydroxyphenyl)-1,2,4-triazoles. As a result of the reactions of alkylation, tosylation, sulfoamination and aminomethylation by Mannich reaction earlier unknown potential biologically active N-derivatives of 1,2,4-triazole were obtained.

  DOI：

  10.1134/s1070363209100259