[Os(η3-CH2CHCHPh)Cl(CO)(PPh3)2] | 958032-01-4

• 英文名称: [Os(η3-CH2CHCHPh)Cl(CO)(PPh3)2]
• CAS: 958032-01-4
• 化学式: C₄₆H₃₉ClOOsP₂
• 分子量: 895.416
• InChiKey: FAABTWWSLNMHIQ-YWKMVERCSA-M

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：

  hydridocarbonylchlorotris(triphenylphosphine)osmium(II) 、 丙-1,2-二烯基苯 以 二氯甲烷 为溶剂， 以48%的产率得到[Os(η3-CH2CHCHPh)Cl(CO)(PPh3)2]
  参考文献：
  名称：

  Ligand Effect on the Insertion Reactions of Allenes with MHCl(CO)(PPh₃)₃ and MHCl(PPh₃)₃ (M = Ru, Os)

  摘要：

  Treatment of RuHCl(CO)(PPh3)(3) with CH2=C=CHCO2Me gives the allyl complex Ru(77 3 -CH2CHCHCO2Me)CI(CO)(PPh3)(2). The analogous allyl complexes Os(eta(3)-CH2CHCHR)Cl(CO)(PPh3)(2) (R = Ph, CH2Ph) are also produced from the reactions of OsHCI(CO)(PPh3)(3) with CH2=C=CHR. In contrast, MHCl(PPh3)(3) (M = Ru, Os) react with CH2=C=CHR to give the vinyl complexes MCl((C(CH3)=CHR)(CH2 C=CHR)(PPh3)(2) (M = Ru, R = CMe3, M = Os, R = CMe3, Ph, CO2Et). The difference in the reaction pathways for the reactions of allenes with MHCl(CO)(PPh3)(3) and MHCl(PPh3)(3) (M = Ru, Os) has been studied by computational chemistry. The theoretical study shows that the observed different reactivity can be related to the significant difference in the electron density increase at the central carbon of the allene ligand upon coordination to the metal fragments.

  DOI：

  10.1021/om700629x