(4,5-Dimethyl-3-phenylimidazol-3-ium-1-yl)oxy-difluoroborane;fluoride | 1429649-62-6

• 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-Dimethyl-3-phenylimidazol-3-ium-1-yl)oxy-difluoroborane;fluoride
• 英文别名: (4,5-dimethyl-3-phenylimidazol-3-ium-1-yl)oxy-difluoroborane;fluoride
• CAS: 1429649-62-6
• 化学式: C₁₁H₁₂BF₂N₂O*F
• 分子量: 256.035
• InChiKey: DBEJGIWZKGSCEL-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.26
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  18
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (4,5-Dimethyl-3-phenylimidazol-3-ium-1-yl)oxy-difluoroborane;fluoride 在 铁粉 、 溶剂黄146 作用下， 反应 2.0h， 以80%的产率得到4,5-dimethyl-1-phenyl-1H-imidazole
  参考文献：
  名称：

  Synthesis of 2-unsubstituted 1-arylimidazoles

  摘要：

  A method has been developed for the synthesis of 1-arylimidazoles lacking a substituent at position 2, featuring the preparation of 1-arylimidazole N-oxides stabilized as boron trifluoride derivatives, with subsequent reduction to the desired imidazoles. This method permits broad variation of the substituents in the aryl part of these molecules.

  DOI：

  10.1007/s10593-013-1210-8
• 作为产物：
  描述：

  苯胺 以 乙醇 、 氯仿 为溶剂， 反应 4.0h， 生成 (4,5-Dimethyl-3-phenylimidazol-3-ium-1-yl)oxy-difluoroborane;fluoride
  参考文献：
  名称：

  Synthesis of 2-unsubstituted 1-arylimidazoles

  摘要：

  A method has been developed for the synthesis of 1-arylimidazoles lacking a substituent at position 2, featuring the preparation of 1-arylimidazole N-oxides stabilized as boron trifluoride derivatives, with subsequent reduction to the desired imidazoles. This method permits broad variation of the substituents in the aryl part of these molecules.

  DOI：

  10.1007/s10593-013-1210-8

文献信息

• Synthesis of 2-unsubstituted 1-arylimidazoles
  作者：V. S. Mityanov、V. P. Perevalov、I. I. Tkach

  DOI：10.1007/s10593-013-1210-8

  日期：2013.3

  A method has been developed for the synthesis of 1-arylimidazoles lacking a substituent at position 2, featuring the preparation of 1-arylimidazole N-oxides stabilized as boron trifluoride derivatives, with subsequent reduction to the desired imidazoles. This method permits broad variation of the substituents in the aryl part of these molecules.