| 1417619-04-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• CAS: 1417619-04-5
• 化学式: Br*C₂₉H₃₅N₂
• 分子量: 491.514
• InChiKey: PMGMWGISMCNYTA-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  4.14
• 重原子数：
  32.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.34
• 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， 以63%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 、 2,4,6-三甲基溴化苄 以 乙酸乙酯 为溶剂， 以85%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