1-{1-[5-Chloro-2-(4-chloro-benzyloxy)-phenyl]-2-ethyl-but-1-enyl}-1H-[1,2,4]triazole | 108649-40-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-{1-[5-Chloro-2-(4-chloro-benzyloxy)-phenyl]-2-ethyl-but-1-enyl}-1H-[1,2,4]triazole
• 英文别名: 1-[1-[5-Chloro-2-[(4-chlorophenyl)methoxy]phenyl]-2-ethyl-but-1-enyl]-1,2,4-triazole；1-[1-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]-2-ethylbut-1-enyl]-1,2,4-triazole
• CAS: 108649-40-7
• 化学式: C₂₁H₂₁Cl₂N₃O
• 分子量: 402.323
• InChiKey: RXGPGXSXDUMOPV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  27
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  39.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-Chloro-2-(2-ethyl-1-[1,2,4]triazol-1-yl-but-1-enyl)-phenol 、 alkaline earth salt of/the/ methylsulfuric acid 在 sodium hydride 作用下， 生成 1-{1-[5-Chloro-2-(4-chloro-benzyloxy)-phenyl]-2-ethyl-but-1-enyl}-1H-[1,2,4]triazole
  参考文献：
  名称：

  Synthesis and antifungal activity of new 1-vinylimidazoles

  摘要：

  Carbonyl compounds I were subjected to an imidazole transfer reaction with N,N'-sulfinyldiimidazole or N,N'-carbonyldiimidazole to obtain the diimidazole II and the monoimidazole III. Various 1-vinylimidazoles IV, derived from o-hydroxyacetophenones by imidazole transfer reaction, were alkylated to furnish the title compounds V. The structure-activity relationships of these 1-vinylimidazole compounds V are described.

  DOI：

  10.1021/jm00391a014

文献信息

• N-Vinylimidazoles and -triazoles and pharmaceutical compositions containing them
  申请人：SHIONOGI SEIYAKU KABUSHIKI KAISHA

  公开号：EP0227100B1

  公开（公告）日：1991-04-03
• Synthesis and antifungal activity of new 1-vinylimidazoles
  作者：Masaru Ogata、Hiroshi Matsumoto、Sumio Shimizu、Shiro Kida、Motoo Shiro、Katsuya Tawara

  DOI：10.1021/jm00391a014

  日期：1987.8

  Carbonyl compounds I were subjected to an imidazole transfer reaction with N,N'-sulfinyldiimidazole or N,N'-carbonyldiimidazole to obtain the diimidazole II and the monoimidazole III. Various 1-vinylimidazoles IV, derived from o-hydroxyacetophenones by imidazole transfer reaction, were alkylated to furnish the title compounds V. The structure-activity relationships of these 1-vinylimidazole compounds V are described.