2-(1-[2-(diethylamino)ethyl]-5-(2-[4-(methoxy)phenyl]vinyl)-1H-1,2,4-triazole-3-yl)phenol hydrochloride | 1332337-19-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-(1-[2-(diethylamino)ethyl]-5-(2-[4-(methoxy)phenyl]vinyl)-1H-1,2,4-triazole-3-yl)phenol hydrochloride
• CAS: 1332337-19-5
• 化学式: C₂₃H₂₈N₄O₂*ClH
• 分子量: 428.962
• InChiKey: AWUSHXXRLSSYJI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.59
• 重原子数：
  30.0
• 可旋转键数：
  9.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  63.41
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  2-(3-[2-(4-methoxyphenyl)ethenyl]-1H-1,2,4-triazol-5-yl)phenol 、 2-二乙氨基氯乙烷盐酸盐 在 sodium hydroxide 、 盐酸 作用下， 以 丙酮 、 水 为溶剂， 反应 13.5h， 以51%的产率得到2-(1-[2-(diethylamino)ethyl]-5-(2-[4-(methoxy)phenyl]vinyl)-1H-1,2,4-triazole-3-yl)phenol hydrochloride
  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