[(1-methylimidazole)₃PdCl]Cl | 653601-16-2

• 英文名称: [(1-methylimidazole)₃PdCl]Cl
• 英文别名: [(mim)₃PdCl]Cl；chlorotris(1-methylimidazole)palladium chloride；[Pd(1-methylimidazole)3Cl]Cl
• CAS: 653601-16-2
• 化学式: C₁₂H₁₈ClN₆Pd*Cl
• 分子量: 423.641
• InChiKey: XFEMXZKLEMYRAQ-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  [(1-methylimidazole)₃PdCl]Cl 、 二氯甲烷 以 二氯甲烷 为溶剂， 生成 tetrakis(1-methyl-imidazole-κ-N3)palladium(II) dichloride bis(dichloromethane)
  参考文献：
  名称：

  Structure, dynamics and catalytic activity of palladium(II) complexes with imidazole ligands

  摘要：

  Several palladium complexes of the type [Pd(im)(2)Cl-2], [Pd(im)(3)Cl]Cl, and [Pd(im)(4)]Cl-2 (im = imidazole 1,1-methylimidazole 2, 1,2-dimethylimidazole 3, 1-butylimidazole 4, 4a, 1-phenylimidazole 6, 1-phenylimidazoline 7, and 1-methylimidazoline 8) were prepared and structurally characterized. The square planar structure of two new complexes with the composition [Pd(im)(4)]Cl-2 (2b, 4b) was confirmed by X-ray analysis. In solution, exchange of imidazole ligands leading to heteroleptic products was evidenced by ESI-MS studies. Two bis-ligated complexes, bearing 1-methylimidazole (2a) and 1-propoxymethylimidazole (5) ligands, were obtained in the reaction of palladium with imidazoles formed by deprotection of one nitrogen atom in the respective imidazolium halides. Catalytic Suzuki-Miyaura reactions were carried out using the obtained palladium complexes in isopropanol-water solution. High yields of the cross-coupling products were obtained at 40 and 60 degrees C when 2-bromotoluene, 4-bromotoluene, and 4-bromoanizole were used as substrates. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2010.08.037
• 作为产物：
  描述：

  N-甲基咪唑 、 palladium dichloride 以 乙腈 为溶剂， 以72.9%的产率得到[(1-methylimidazole)₃PdCl]Cl
  参考文献：
  名称：

  Novel palladium imidazole catalysts for Suzuki cross-coupling reactions

  摘要：

  Novel palladium imidazole catalytic systems for the Suzuki cross-coupling reaction have been developed from commercially available and inexpensive imidazoles and palladium sources, and exhibit high activity and no homo-coupling. (C) 2003 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/s1381-1169(03)00447-3
• 作为试剂：
  描述：

  2-溴甲苯 、 4-乙烯基苯硼酸 在 [(1-methylimidazole)₃PdCl]Cl 、 potassium hydroxide 作用下， 以 水 、 异丙醇 为溶剂， 以35%的产率得到4'-ethenyl-2-methylbiphenyl
  参考文献：
  名称：

  Structure, dynamics and catalytic activity of palladium(II) complexes with imidazole ligands

  摘要：

  Several palladium complexes of the type [Pd(im)(2)Cl-2], [Pd(im)(3)Cl]Cl, and [Pd(im)(4)]Cl-2 (im = imidazole 1,1-methylimidazole 2, 1,2-dimethylimidazole 3, 1-butylimidazole 4, 4a, 1-phenylimidazole 6, 1-phenylimidazoline 7, and 1-methylimidazoline 8) were prepared and structurally characterized. The square planar structure of two new complexes with the composition [Pd(im)(4)]Cl-2 (2b, 4b) was confirmed by X-ray analysis. In solution, exchange of imidazole ligands leading to heteroleptic products was evidenced by ESI-MS studies. Two bis-ligated complexes, bearing 1-methylimidazole (2a) and 1-propoxymethylimidazole (5) ligands, were obtained in the reaction of palladium with imidazoles formed by deprotection of one nitrogen atom in the respective imidazolium halides. Catalytic Suzuki-Miyaura reactions were carried out using the obtained palladium complexes in isopropanol-water solution. High yields of the cross-coupling products were obtained at 40 and 60 degrees C when 2-bromotoluene, 4-bromotoluene, and 4-bromoanizole were used as substrates. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2010.08.037