5-(4-fluorophenyl)-2-{4-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]phenyl}-4-phenyl-1H-imidazole

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-(4-fluorophenyl)-2-{4-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]phenyl}-4-phenyl-1H-imidazole
• 英文别名: 5-(4-fluorophenyl)-2-[4-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]phenyl]-4-phenyl-1H-imidazole
• 化学式: C₃₆H₂₄F₂N₄
• mdl: MFCD01461810
• 分子量: 550.61
• InChiKey: QUOSBEOIIQHZIY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.4
• 重原子数：
  42
• 可旋转键数：
  6
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  57.4
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-氟苯偶酰 、 对苯二甲醛 在 乙酸铵 、 溶剂黄146 作用下， 以83%的产率得到5-(4-fluorophenyl)-2-{4-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]phenyl}-4-phenyl-1H-imidazole
  参考文献：
  名称：

  Synthesis and Reactivity of Difluoroaromatic Compounds Containing Heterocyclic Central Groups

  摘要：

  The reaction of trichloroacetaldehyde with fluorobenzene, followed by a series of transformations, gave 4-fluorobenzil and 4,4'-difluorobenzil which were used in the synthesis of new difluoroaromatic compounds with a heterocyclic central group. The H-1, C-13, and F-19 NMR spectra of the newly synthesized difluoroaromatic compounds were studied. The charge densities on the carbon atoms attached to fluorine were calculated in terms of the PM3 and AM1 semiempirical approximations. A correlation was found between the charge on C(F) and the corresponding C-13 and F-19 chemical shifts. Using this correlation, the reactivity of difluoroaromatic compounds in nucleophilic substitution reactions was estimated.

  DOI：

  10.1023/b:rugc.0000016002.83302.af