cis-[RhCl((i-Pr)2PO-2,3-xylyl)(PPh3)2] | 869984-99-6

• 英文名称: cis-[RhCl((i-Pr)2PO-2,3-xylyl)(PPh3)2]
• CAS: 869984-99-6
• 化学式: C₅₀H₅₃ClOP₃Rh
• 分子量: 901.25
• InChiKey: GHNHHLZPOZEYJX-UHFFFAOYSA-M

反应信息

• 作为产物：
  描述：

  [RhCl((i-Pr)2PO-2,3-xylyl)(PPh3)]2 、 三苯基膦 以 氘代甲苯 为溶剂， 生成 cis-[RhCl((i-Pr)2PO-2,3-xylyl)(PPh3)2]
  参考文献：
  名称：

  Preagostic Rh−H Interactions and C−H Bond Functionalization:  A Combined Experimental and Theoretical Investigation of Rhodium(I) Phosphinite Complexes

  摘要：

  Three Rh-phosphinite complexes with the general structural formula [RhCl(i-Pr(2)POXy)(L)](2) (Xy = 2,3-xylyl; L = PPh3, PMe3, t-BuNC) were synthesized. Characterization of these complexes using crystallographic and spectroscopic techniques revealed rare examples of preagostic C-(HM)-M-... interactions. H-1 NMR chemical shielding calculations on a geometry-optimized model complex were used to provide a connection between the solution and solid-state data, which additionally supported assignment of the preagostic interaction. One of these Rh-phosphinite complexes (L = PPh3) was used to catalyze the ortho alkylation of phosphinites and phenols with an unactivated alkene. Finally, DFT calculations were used to provide evidence for the involvement of the observed preagostic interaction in the cyclometalation step of the catalytic cycle.

  DOI：

  10.1021/om050700i