[Pd2(μ-OCH(CH3)2)(μ-η2:η2-1,3-butadiene)(PPh3)2][PF6] | 446255-95-4

• 英文名称: [Pd2(μ-OCH(CH3)2)(μ-η2:η2-1,3-butadiene)(PPh3)2][PF6]
• CAS: 446255-95-4
• 化学式: C₄₃H₄₃OP₂Pd₂*F₆P
• 分子量: 995.566
• InChiKey: ROWYBCKADHMFBV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 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：

  [Pd2(μ-OH)(THF)(μ-η2:η2-1,3-butadiene)(PPh3)2][PF6] 、 异丙醇 以 二氯甲烷-D2 为溶剂， 生成 [Pd2(μ-OCH(CH3)2)(μ-η2:η2-1,3-butadiene)(PPh3)2][PF6]
  参考文献：
  名称：

  Synthesis and Reactivity of a Palladium(I)−Palladium(I)-Bonded μ-Hydroxo Complex Supported by a Bridging Butadiene Ligand

  摘要：

  The first Pd-Pd bonded hydroxo-bridged organopalladium dinuclear complex, [Pd-2(mu-OH)=(THF)(mu-eta(2):eta(2)-1,3-C4H6)(PPh3)(2)] [PF6] (1.THF), was synthesized by a reaction of the sandwich-type complex [Pd-2(mu-eta(2):eta(2)-1,3-C4H6)(2)(PPh3)(2)] [PF6](2) with sodium hydroxide in tetrahydrofuran. Reactions of 1.THF with p-toluidine, 3,5-dimethylpyrazole (Hdmpz), benzenethiol, isopropyl alcohol, and p-cresol afforded a series of heteroatom-bridged dinuclear complexes with the general formula [Pd-2(mu-E)(mu-eta(2):eta(2)-1,3-C4H6)(PPh3)(2)][PF6] (E = NHC6H4Me-p (2), dmpz (3), SPh (4), OCH(CH3)(2) (5), OC6H4Me-p (6)). However, the mu-alkoxo complex 5 was unstable and rapidly decomposed via P-hydrogen elimination by releasing acetone. The complexes 1.THF and 2 were structurally characterized by single-crystal X-ray diffraction analyses. X-ray crystallography of 1.THF revealed that the complex molecule contained a tetrahydrofuran molecule that was associated with the bridging hydroxide through O...H-O hydrogen bonding. The complex 6 was reversibly converted to a hydroxo-bridged complex in the presence of excess water.

  DOI：

  10.1021/om020190h