4-tert-butyl-2-(4-tert-butyl-1H-imidazol-1-yl)-pyridine | 1261616-75-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并吡啶类
• 英文名称: 4-tert-butyl-2-(4-tert-butyl-1H-imidazol-1-yl)-pyridine
• CAS: 1261616-75-4
• 化学式: C₁₆H₂₃N₃
• 分子量: 257.379
• InChiKey: SVGRWUZVJCGRME-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.86
• 重原子数：
  19.0
• 可旋转键数：
  1.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  30.71
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  4-tert-butyl-2-(4-tert-butyl-1H-imidazol-1-yl)-pyridine 、 碘甲烷 以 乙酸乙酯 为溶剂， 反应 39.0h， 以69%的产率得到
  参考文献：
  名称：

  A simple synthesis of functionalized 3-methyl-1-pyridinyl-1H-imidazolium salts as bidentate N-heterocyclic-carbene precursors and their application in Ir-catalyzed arene borylation

  摘要：

  The selective alkylation of functionalized 2-(1H-imidazol-1-yl)pyridines 1 furnishes 3-methyl-1-pyridinyl-1H-imidazolium salts 2, which can be deprotonated to deliver strongly electron-donating bidentate N-heterocyclic carbene ligands (NHC). The synthesis of these ligands and their application in the iridium-catalyzed C H activated borylation of arenes with its current scope and limitations are reported. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.10.059
• 作为产物：
  描述：

  5-叔丁基-1H-咪唑 、 2-溴-4-叔丁基吡啶 在 copper(l) iodide 、 potassium carbonate 、 L-脯氨酸 作用下， 以 二甲基亚砜 为溶剂， 反应 110.0h， 以49%的产率得到4-tert-butyl-2-(4-tert-butyl-1H-imidazol-1-yl)-pyridine
  参考文献：
  名称：

  A simple synthesis of functionalized 3-methyl-1-pyridinyl-1H-imidazolium salts as bidentate N-heterocyclic-carbene precursors and their application in Ir-catalyzed arene borylation

  摘要：

  The selective alkylation of functionalized 2-(1H-imidazol-1-yl)pyridines 1 furnishes 3-methyl-1-pyridinyl-1H-imidazolium salts 2, which can be deprotonated to deliver strongly electron-donating bidentate N-heterocyclic carbene ligands (NHC). The synthesis of these ligands and their application in the iridium-catalyzed C H activated borylation of arenes with its current scope and limitations are reported. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.10.059