1-isopropyl-3-phenyl-1H-imidazol-3-ium tetrafluoroborate | 1434057-48-3

• 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-isopropyl-3-phenyl-1H-imidazol-3-ium tetrafluoroborate
• 英文别名: 1-phenyl-3-isopropylimidazolium tetrafluoroborate；1-Phenyl-3-propan-2-ylimidazol-3-ium;tetrafluoroborate；1-phenyl-3-propan-2-ylimidazol-3-ium;tetrafluoroborate
• CAS: 1434057-48-3
• 化学式: BF₄*C₁₂H₁₅N₂
• 分子量: 274.069
• InChiKey: PFWUDQHQWKHYKQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.65
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  8.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  diphenyliodonium tetrafluoroborate 、 1-异丙基咪唑 在 copper(II) acetate monohydrate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 5.0h， 以86%的产率得到1-isopropyl-3-phenyl-1H-imidazol-3-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

• 트리알킬 오르소에스테르를 이용한 무수 이온성 액체 직접 합성법 개발
  申请人：Pusan National University Industry-University Cooperation Foundation 부산대학교 산학협력단(220040044843) BRN ▼621-82-06530

  公开号：KR20150079403A

  公开（公告）日：2015-07-08

  본 발명은, 질소함유 헤테로고리 화합물 및 아민계 화합물 중 적어도 어느 하나와 음이온염 화합물 및 트리알킬 오르소에스테르(trialkyl orthoester)을 반응시켜 알킬화된 질소를 포함하는 헤테로고리 화합물 또는 아민계 화합물을 제조하는 단계를 포함하는 이온성 액체 제조 방법에 관한 것이다.

  This is the translation of the text you provided: 该发明涉及将含氮杂环化合物和胺类化合物中的至少一种与阴离子盐化合物和三烷基正酯(trialkyl orthoester)反应以制备含有烷基化氮的杂环化合物或胺类化合物的离子液体制备方法。
• 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.