Pd₂tol₂(μ-3,5-dimethylpyrazole)₂(PMe₂Ph)₂ | 1607434-86-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: Pd₂tol₂(μ-3,5-dimethylpyrazole)₂(PMe₂Ph)₂
• 英文别名: Pd₂tol₂(μ-dmpz)₂(PMe₂Ph)₂
• CAS: 1607434-86-5
• 化学式: C₄₀H₅₀N₄P₂Pd₂
• 分子量: 861.651
• InChiKey: KDGYRRJAFYRTKQ-UHFFFAOYSA-N

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：
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反应信息

• 作为产物：
  描述：

  3,5-二甲基吡唑 、 Pd2tol2(μ-Cl)2(PMe2Ph)2 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 反应 5.0h， 以85%的产率得到Pd₂tol₂(μ-3,5-dimethylpyrazole)₂(PMe₂Ph)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