4-(4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl)benzonitrile | 1374790-54-1

• 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-(4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl)benzonitrile
• CAS: 1374790-54-1
• 化学式: C₂₂H₁₃F₂N₃
• 分子量: 357.362
• InChiKey: GCDUWXBXACQBSM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.56
• 重原子数：
  27.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  52.47
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  4,4'-二氟苯偶酰 、 4-氰基苯甲醛 在 tin(II) chloride dihdyrate 、 ammonium acetate 作用下， 以 乙醇 为溶剂， 反应 4.0h， 以64%的产率得到4-(4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl)benzonitrile
  参考文献：
  名称：

  Metal chloride hydrates as Lewis acid catalysts in multicomponent synthesis of 2,4,5-triarylimidazoles or 2,4,5-triaryloxazoles

  摘要：

  A series of nine metal chloride hydrates (ZnCl2 center dot 2H(2)O, SnCl2 center dot 2H(2)O, CdCl2 center dot 2H(2)O, MnCl2 center dot 4H(2)O, CoCl2 center dot 6H(2)O, SrCl2 center dot 6H(2)O, NiCl2 center dot 6H(2)O, CrCl3 center dot 6H(2)O and CeCl3 center dot 7H(2)O) was investigated as mild and inexpensive Lewis acid catalysts to promote the multicomponent synthesis of triarylimidazoles. Reactions starting from benzil showed the best results when SnCl2 center dot 2H(2)O was used, while for benzoin as the starting material, CeCl3 center dot 7H(2)O was more efficient. All reactions were performed in EtOH as solvent. These catalysts were also successfully employed in the synthesis of triaryloxazoles.

  DOI：

  10.1590/s0103-50532012000100024