4,5-bis(4-methoxyphenyl)-1-methyl-2-(4-(trifluoromethyl)phenyl)-1H-imidazole | 1415639-37-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4,5-bis(4-methoxyphenyl)-1-methyl-2-(4-(trifluoromethyl)phenyl)-1H-imidazole
• 英文别名: 4,5-Bis(4-methoxyphenyl)-1-methyl-2-[4-(trifluoromethyl)phenyl]imidazole；4,5-bis(4-methoxyphenyl)-1-methyl-2-[4-(trifluoromethyl)phenyl]imidazole
• CAS: 1415639-37-0
• 化学式: C₂₅H₂₁F₃N₂O₂
• 分子量: 438.449
• InChiKey: WOZOGZSVVBDIGV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  32
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  36.3
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  甲胺 、 对三氟甲基苯甲醛 、 4,4'-二甲氧基苯酚酯 、 ammonium acetate 在 sodium dihydrogenphosphate 作用下， 以 水 为溶剂， 以84%的产率得到4,5-bis(4-methoxyphenyl)-1-methyl-2-(4-(trifluoromethyl)phenyl)-1H-imidazole
  参考文献：
  名称：

  Triarylimidazole Redox Catalysts: Electrochemical Analysis and Empirical Correlations

  摘要：

  A series of triarylimidazoles was synthesized and characterized electrochemically. The synthetic route is general, providing a pathway to 30 redox mediators that exhibit a > 700 mV range of accessible potentials. Most of the triarylimidazoles display three oxidation peaks where the first redox couple is quasi-reversible. The electronic character of the substituents affects the oxidation potential. This is exemplified by a linear correlation between the first oxidation potential and the sum of the Hammett sigma(+) substituent constants, as well as with a series of calculated ionization potentials. We close by putting forward a rule of thumb stating that for a given mediator, the upper limit of accessible potentials can be extended by at least 500 mV beyond the largest recorded value. A rationale, the conditions under which the rule is likely to apply, and an example are provided.

  DOI：

  10.1021/jo302309m