2-[5-[2-(3,4-dimethoxyphenyl)vinyl]-1-(2-morpholin-4-ylethyl)-1H-1,2,4-triazol-3-yl]phenol hydrochloride | 1332337-29-7

• 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-[5-[2-(3,4-dimethoxyphenyl)vinyl]-1-(2-morpholin-4-ylethyl)-1H-1,2,4-triazol-3-yl]phenol hydrochloride
• CAS: 1332337-29-7
• 化学式: C₂₄H₂₈N₄O₄*ClH
• 分子量: 472.972
• InChiKey: PITAQQWPTYDKPX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.59
• 重原子数：
  33.0
• 可旋转键数：
  8.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  81.87
• 氢给体数：
  1.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  4-(2-氯乙基)吗啉 、 2-(3-[2-(3,4-dimethoxyphenyl)vinyl]-1H-1,2,4-triazol-5-yl)phenol 在 sodium hydroxide 、 盐酸 作用下， 以 丙酮 、 水 为溶剂， 反应 13.5h， 以42%的产率得到2-[5-[2-(3,4-dimethoxyphenyl)vinyl]-1-(2-morpholin-4-ylethyl)-1H-1,2,4-triazol-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