Pd2tol2(μ-Cl)2(PEt3)2 | 1353050-88-0

• 英文名称: Pd2tol2(μ-Cl)2(PEt3)2
• 英文别名: Pd₂tol₂(μ-Cl)₂(PEt₃)₂；[Pd2Tol2(μ-Cl)2(PEt3)2]
• CAS: 1353050-88-0
• 化学式: C₂₆H₄₄Cl₂P₂Pd₂
• 分子量: 702.329
• InChiKey: OEYDADKZSOUKSI-UHFFFAOYSA-L

计算性质

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

反应信息

• 作为反应物：
  描述：

  吡唑 、 Pd2tol2(μ-Cl)2(PEt3)2 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 反应 5.0h， 以82%的产率得到Pd2tol2(μ-pyrazole)2(PEt3)2
  参考文献：
  名称：

  Pyrazolato-bridged arylpalladium(II) complexes, [Pd2Ar2(μ-pz/dmpz)2(PR3)2]: Synthesis and characterization

  摘要：

  The reactions of [Pd2Ar2(mu-Cl)(2)(PR3)(2)] with pyrazole or 3,5-dimethylpyrazole in the presence of methanolic sodium hydroxide yield pyrazolato-bridged binuclear arylpalladium complexes, [Pd2Ar2(mu-pz')(2)(PR3)(2)] (Ar Ph or C6H4Me-4 (tol); pz' = pz or dmpz; PR3 = PEt3, PMe2Ph). These complexes exist exclusively in sym-trans form both in solution (by NMR) and in the solid state (by X-ray). The molecular structures of [Pd(2)tol(2)(mu-Cl)(2)(PMe2Ph)(2)], [Pd(2)tol(2)(mu-pz)(2)(PMe2Ph)(2)] and [Pd(2)tol(2)(mu-dmpz)(2)(PEt3)(2)] have been established by X-ray diffraction analyses. The former is a centrosymmetric dimer while the latter two adopt a boat like conformation. The Pd/Pd separation in pyrazolato-bridged complexes is influenced by steric demands of particular pyrazolato-ligand. (C) 2013 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2013.12.026
• 作为产物：
  描述：

  三对甲苯基铋 、 dichlorobis(triethylphosphine)-μ-dichlorodipalladium(II) 以 二氯甲烷 、 苯 为溶剂， 以52%的产率得到Pd2tol2(μ-Cl)2(PEt3)2
  参考文献：
  名称：

  Isolation of chloro-bridged arylpalladium complexes, [Pd2Ar2(μ-Cl)2(PR3)2], in palladium catalyzed C–C cross coupling reaction of triarylbismuth with arylhalides

  摘要：

  The reaction of [Pd2Cl2(mu-Cl)(2)(PR3)(2)] with triarylbismuth in dichloromethane at room temperature afforded chloro-bridged arylpalladium complexes, [Pd2Ar2(mu-Cl)(2)(PR3)(2)] (Ar = Ph or 4-MeC6H4 (tol)) in 85-90% yield as a yellow crystalline powder. These complexes were characterized by elemental analysis and NMR spectroscopy. Molecular structures of [Pd(2)tol(2)(mu-Cl)(2)(PEt3)(2)] and [Pd2Ph2(mu-Cl)(2)(PMePh2)(2)] were established by single crystal X-ray crystallography. These complexes are centrosymmetric dimers with trans configuration. The C-C coupling reaction between triarylbismuth and an arylhalide in the presence of a base is catalyzed by [Pd2Cl2(mu-Cl)(2)(PR3)(2)]. The reactions proceed via an arylpalladium complex formed by transmetallation reaction between [Pd2Cl2(mu-Cl)(2)(PR3)(2)] and Ar3Bi. Probable reaction routes for C-C coupling have been discussed. (C) 2011 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2011.09.024