sodium (+/-)-2'-(diphenylphosphino)-2-oxy-1,1'-binaphthyl | 835655-19-1

• 英文名称: sodium (+/-)-2'-(diphenylphosphino)-2-oxy-1,1'-binaphthyl
• CAS: 835655-19-1
• 化学式: C₃₂H₂₂OP*Na
• 分子量: 476.49
• InChiKey: BNWATVNTMCGWEJ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  35.0
• 可旋转键数：
  4.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  23.06
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  tris(triphenylphosphine)ruthenium(II) chloride 、 正己烷 、 sodium (+/-)-2'-(diphenylphosphino)-2-oxy-1,1'-binaphthyl 以 二氯甲烷 为溶剂， 以91%的产率得到[RuCl((+/-)-2'-(diphenylphosphino)-2-oxy-1,1'-binaphthyl))(PPh3)]*(hexane)
  参考文献：
  名称：

  Inhibiting σ → π Isomerization of Aryloxide Ligands in Late Transition-Metal Complexes

  摘要：

  The room-temperature reaction of thallium perfluorophenoxide with RuHCl(PPh3)(3) (4a) yields RuH(sigma-OC6X5)(PPh3)(3) (X = F, 5(F)), the structure of which was confirmed by spectroscopic, microanalytical, and X-ray analysis. The analogous phenoxide complex (X = H, 5(H)) is known to be unstable toward sigma - pi isomerization, and reaction of phenoxide ion with 4a affords RuH(eta(5)-C6H5O)(PPh3)(2) (6a). We conclude that the driving force for isomerization in 51 is minimized by the electron deficiency of the perfluorophenoxide ring. In contrast, incorporation of the aryloxide entity within a chelating framework proves insufficient to inhibit isomerization. Thus, reaction of 4a or RuCl2(PPh3)(3) (4b) with the sodium salt of 2'-(diphenylphosphino)-1,1'-binaphthyl-2-ol (NaO-MOP) yields RuX(O-MOP)(PPh3) (7a, X = H; 7b, X = Cl). Detailed 1- and 2-D NMR analysis of 7b provides unequivocal evidence that the O-MOP ligand is bound to Ru in a sigma fashion through phosphorus and in a pi fashion via the aryloxide ring. The crystal structure of 5(F.)THF is reported.

  DOI：

  10.1021/om049394j