3-(tert-butyl)-1-(2-pyridyl)imidazolin-2-ylidene | 869882-09-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 3-(tert-butyl)-1-(2-pyridyl)imidazolin-2-ylidene
• 英文别名: 2-(3-tert-butyl-2H-imidazol-3-ium-2-id-1-yl)pyridine
• CAS: 869882-09-7
• 化学式: C₁₂H₁₅N₃
• 分子量: 201.271
• InChiKey: GPOVWYUELGHRBD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  19.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  trans-di(μ-acetato)bis[o-(di-o-tolylphosphino)benzyl]dipalladium(II) 、 3-(tert-butyl)-1-(2-pyridyl)imidazolin-2-ylidene 以 甲苯 为溶剂， 以90%的产率得到acetato[3-(tert-butyl)-1-(2-pyridyl)imidazolin-2-ylidene][o-(di-o-tolylphosphino)benzyl]palladium(II)
  参考文献：
  名称：

  Synthesis and Characterization of N-Heterocyclic Carbene Phospha-Palladacycles and Their Properties in Heck Catalysis

  摘要：

  Palladacycles are among the most active catalyst systems for the Mizoroki-Heck reaction to date. We present N-heterocyclic carbene (NHC) substituted phospha-palladacycles as a new class of catalysts. This new type of palladacycles combines the advantageous stability of phospha-palladacycles with the steric demand and high a-donor strength of N-heterocyclic carbenes. In this work NHC-substituted phospha-palladacycles are tested in Heck catalysis. The activity of these catalysts allows the coupling of even aryl chlorides in good yields.

  DOI：

  10.1021/om049001g