1,4-diphenyl-1H-1,2,4-triazol-4-ium tetrafluoroborate | 46816-96-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1,4-diphenyl-1H-1,2,4-triazol-4-ium tetrafluoroborate
• 英文别名: 1,4-Diphenyl-1,2,4-triazol-4-ium
• CAS: 46816-96-0
• 化学式: C₁₄H₁₂N₃
• 分子量: 222.269
• InChiKey: GIVBSNLFVIJOCZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  21.7
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  1-苯基-1H-1,2,4-噻唑 、 diphenyliodonium tetrafluoroborate 在 copper(II) acetate monohydrate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 6.0h， 以94%的产率得到1,4-diphenyl-1H-1,2,4-triazol-4-ium tetrafluoroborate
  参考文献：
  名称：

  Copper-Catalyzed Direct Aryl Quaternization of N-Substituted Imidazoles to Form Imidazolium Salts

  摘要：

  Diaryliodonium salts are employed to directly quaternize N-substituted imidazoles by using a copper catalyst to construct aryl imidazolium salts in moderate to excellent yields. This transformation is tolerant to a broad range of functional groups and provides a straightforward, efficient, and versatile route to synthesize aryl imidazolium as well as triazolium salts, especially the unsymmetric version.

  DOI：

  10.1021/jo400527r

文献信息

• Copper-Catalyzed Direct Aryl Quaternization of <i>N</i>-Substituted Imidazoles to Form Imidazolium Salts
  作者：Taiyong Lv、Zhi Wang、Jingsong You、Jingbo Lan、Ge Gao

  DOI：10.1021/jo400527r

  日期：2013.6.7

  Diaryliodonium salts are employed to directly quaternize N-substituted imidazoles by using a copper catalyst to construct aryl imidazolium salts in moderate to excellent yields. This transformation is tolerant to a broad range of functional groups and provides a straightforward, efficient, and versatile route to synthesize aryl imidazolium as well as triazolium salts, especially the unsymmetric version.