| 1417619-03-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• CAS: 1417619-03-4
• 化学式: Br*C₃₅H₄₇N₂
• 分子量: 575.676
• InChiKey: DDNYNFYANWQTBU-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  6.59
• 重原子数：
  38.0
• 可旋转键数：
  8.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  8.81
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  3-氯吡啶 、 、 palladium dichloride 在 potassium carbonate 作用下， 以 neat (no solvent) 为溶剂， 反应 16.0h， 以93%的产率得到
  参考文献：
  名称：

  Novel robust benzimidazolylidene palladium complexes: synthesis, structure, and catalytic applications in amination of chloroarenes

  摘要：

  A series of novel pyridine stabilized Pd-NHC complexes were developed, which revealed high activities and broad substrates tolerance in the amination of various (hetero)-aryl chlorides. Besides various secondary amines, a wide range of primary anilines and aliphatic amines were also well tolerated. The results highlight us a new strategy to increase catalyst activity in the future catalyst design by alternating the sigma-donor property and flexibility of NHC ligands. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.11.003
• 作为产物：
  描述：

  1-(2,6-diisopropylphenyl)-1H-benzoimidazole 、 2-(溴甲基)-1,3,5-三异丙基苯 以 乙酸乙酯 为溶剂， 反应 36.0h， 以86%的产率得到
  参考文献：
  名称：

  Novel robust benzimidazolylidene palladium complexes: synthesis, structure, and catalytic applications in amination of chloroarenes

  摘要：

  A series of novel pyridine stabilized Pd-NHC complexes were developed, which revealed high activities and broad substrates tolerance in the amination of various (hetero)-aryl chlorides. Besides various secondary amines, a wide range of primary anilines and aliphatic amines were also well tolerated. The results highlight us a new strategy to increase catalyst activity in the future catalyst design by alternating the sigma-donor property and flexibility of NHC ligands. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.11.003