（SP-4-1）-二氯双（1-苯基-1H-咪唑-κN3）-钯 | 1415116-29-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: （SP-4-1）-二氯双（1-苯基-1H-咪唑-κN3）-钯
• 英文名称: trans-[PdCl2(1-phenyl imidazole)2]
• 英文别名: trans-[PdCl2(PI)2]；Palladium, dichlorobis(1-phenyl-1H-imidazole)-；dichloropalladium;1-phenylimidazole
• CAS: 1415116-29-8
• 化学式: C₁₈H₁₆Cl₂N₄Pd
• 分子量: 465.678
• InChiKey: NMGSBXWUCWPEPQ-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  5.12
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  35.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-苯基咪唑 、 二(氰基苯)二氯化钯 以 甲醇 、 二氯甲烷 为溶剂， 反应 24.0h， 以70%的产率得到（SP-4-1）-二氯双（1-苯基-1H-咪唑-κN3）-钯
  参考文献：
  名称：

  Imidazole containing palladium(II) complexes as efficient pre-catalyst systems for Heck and Suzuki coupling reaction: Synthesis, structural characterization and catalytic properties

  摘要：

  A series of new palladium(II) complexes of the general formula trans-[PdX2L2] [X = Cl, Br; L = 1-phenylimidazole (PI), 1-(4-methoxyphenyl)-1H-imidazole (MPI), 4(5)-(hydroxymethyl)-imidazole (HMI), 1-(4-cyanophenyl)- imidazole) (CPI)] [X = Cl; L = PI(1), X = Cl; L = MPI(2), X = Cl; L = HMI(3), X = Cl; L = CPI(4), X = Br; L = PI(5), X = Br; L = MPI(6), X = Br; L = HMI(7), X = Br; L = CPI(8)] have been synthesized. Resulting complexes have been characterized by elemental analyses, IR, H-1 and C-13 NMR, FAB-MS and electronic spectral studies. The molecular structures of 1, and 6 have been determined by single crystal X-ray analyses. The catalytic activities of all the Pd complexes (1-8) in coupling reactions such as the Mizoroki-Heck and Suzuki-Miyaura coupling reaction have also been studied. Among the 1-8 complexes in our investigations, 1, 2, 5, and 6 exhibited highest catalytic activity as compared to 3, 4, 7, and 8 complexes which is due to formation of Pd nanoparticles that might be actually the true active species. (C) 2012 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2012.08.003
• 作为试剂：
  描述：

  丙烯酸丁酯 、 对溴甲苯 在 （SP-4-1）-二氯双（1-苯基-1H-咪唑-κN3）-钯 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 以100%的产率得到(E)-3-对甲苯丙烯酸丁酯
  参考文献：
  名称：

  Imidazole containing palladium(II) complexes as efficient pre-catalyst systems for Heck and Suzuki coupling reaction: Synthesis, structural characterization and catalytic properties

  摘要：

  A series of new palladium(II) complexes of the general formula trans-[PdX2L2] [X = Cl, Br; L = 1-phenylimidazole (PI), 1-(4-methoxyphenyl)-1H-imidazole (MPI), 4(5)-(hydroxymethyl)-imidazole (HMI), 1-(4-cyanophenyl)- imidazole) (CPI)] [X = Cl; L = PI(1), X = Cl; L = MPI(2), X = Cl; L = HMI(3), X = Cl; L = CPI(4), X = Br; L = PI(5), X = Br; L = MPI(6), X = Br; L = HMI(7), X = Br; L = CPI(8)] have been synthesized. Resulting complexes have been characterized by elemental analyses, IR, H-1 and C-13 NMR, FAB-MS and electronic spectral studies. The molecular structures of 1, and 6 have been determined by single crystal X-ray analyses. The catalytic activities of all the Pd complexes (1-8) in coupling reactions such as the Mizoroki-Heck and Suzuki-Miyaura coupling reaction have also been studied. Among the 1-8 complexes in our investigations, 1, 2, 5, and 6 exhibited highest catalytic activity as compared to 3, 4, 7, and 8 complexes which is due to formation of Pd nanoparticles that might be actually the true active species. (C) 2012 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2012.08.003