[Rh(κ2P,P':η5-C5Me3-1,3-(CH2CPh=CHPPh2)2)Cl](CF3SO3) | 1095268-31-7

• 英文名称: [Rh(κ2P,P':η5-C5Me3-1,3-(CH2CPh=CHPPh2)2)Cl](CF3SO3)
• CAS: 1095268-31-7
• 化学式: CF₃O₃S*C₅₀H₄₅ClP₂Rh
• 分子量: 995.284
• InChiKey: RFLYRGDYHKLRQK-FSSOOTDASA-L

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：

  [Rh(eta.5-C5Me5)Cl(PPh2CCPh)2](CF4SO3) 在 Na₂CO₃ 作用下， 以 四氢呋喃 为溶剂， 生成 [Rh(κ2P,P':η5-C5Me3-1,2-(CH2CPh=CHPPh2)2)Cl](CF3SO3) 、 [Rh(κ2P,P':η5-C5Me3-1,3-(CH2CPh=CHPPh2)2)Cl](CF3SO3)
  参考文献：
  名称：

  Facile Single or Double C−H Bond Activation on a Cp* Ligand Promoted by the Presence of Alkynylphosphine Ligands

  摘要：

  The behavior of the cationic alkynylphosphine complex [Rh(eta(5)-Cp*)Cl(PPh2C CPh)(2)](CF3SO3) (1) under thermal or basic conditions is described. Complex 1 rearranges thermally (toluene, reflux) to generate a solution from which a mixture formed by 1, the motrohydroalkylated derivative [Rh{kP:eta Me-5(4)(CH2CPh=CHPPh2)}Cl(PPh2C equivalent to CPh)](CF3SO3) (2), and the symmetrical 1,2 -dihydroalkylated derivative [Rh{k(2)PP':eta(5)-C5Me3-1,2-(CH2CPh=CHPPh2)(2)}]Cl](CF3SO3) (3') (similar to 30:60:10, respectively) can be isolated. From this mixture, compounds 1 and 2 cocrystallize together, giving rise to a solid solution, as has been confirmed by X-ray crystallography. In contrast, treatment of [Rh(eta(5)-Cp*)Cl(PPh2C CPh)(2)](CF3SO3) (1) with Na2CO3 evolves with the formation of the new asymmetrical 1,2- and 1,3-dihydroactivated isomers [Rh{k(2)PP':eta(5)-1,2-(PPh2CH2CPh=CH)C5Me3(CH2CPh=CHPPh2)}]Cl](CF3SO3) (3, X-ray) and [Rh{k(2)PP':eta(5)-1,3-(PPh2CH2CPh=CH)C5Me3(CH2CPh=CHPPh2)}]Cl](CF3SO3) (4), generated by the occurrence of a simultaneous 1,2- or 1,3-double C-H bond addition to the triple bonds, together with an additional isomerization process. A detailed study of this reaction (reflux or room temperature) provides evidence that these asymmetrical deactivated complexes (3, 4) are generated by initial formation of the corresponding symmetrical 1,2- and 1,3-dihydroalkylated species 3' and 4', respectively.

  DOI：

  10.1021/om800867h