| 176247-97-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 176247-97-5
• 化学式: C₂₄H₂₀B*C₅₆H₅₆P₄Rh
• 分子量: 1275.09
• InChiKey: PIGHQCLMSWWHHF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.13
• 重原子数：
  86.0
• 可旋转键数：
  12.0
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  bis(1,4-bis(diphenylphosphino)butane)rhodium(I) tetrafluoroborate 、 四苯硼钠 以 甲醇 为溶剂， 以99%的产率得到
  参考文献：
  名称：

  Interconversion between Zwitterionic and Cationic Rhodium(I) Complexes of Demonstrated Value as Catalysts in Hydroformylation, Silylformylation, and Hydrogenation Reactions. Dynamic ³¹P{¹H} NMR Studies of (η⁶-PhBPh₃)^-Rh⁺(DPPB) and [Rh(DPPB)₂]⁺BPh₄^- in Solution

  摘要：

  Treatment of an orange solution of [Rh(COD)(DPPB)](BF4-)-B-+ (2) in MeOH with 2 equiv of NaBPh(4) at room temperature (RT) afforded an orange precipitate, [Rh(COD)(DPPB)](+)BPh(4)(-) (3), in 94% yield. Reaction of the cationic rhodium complex 3 with Hp under ambient conditions in CH2Cl2 for Ih gave the zwitterionic complex (eta(6)-PhBPh(3))-Rh+(DPPB) (4) in quantitative yield. Although 3 is stable in the solid state, it has the propensity in solution to convert to the zwitterionic complexes (eta(6)-PhBPh(3))Rh--(+)(COD) (1) and (eta(6)-PhBPh(3))Rh--(+)(DPPB) (4) along with a small amount of [Rh-x(DPPB)(2x)](x+)[BPh(4)(-)](x). Addition of 1, 2, and 4 equiv of DPPB to the CD2Cl2 solution of (eta(6)-PhBPh(3))Rh--(+)(NBD) (6) under N-2 resulted in the formation of [Rh(NBD)(DPPB)](+)BPh(4)(-) (7) and [Rh(DPPB)(2)](+)BPh(4)(-) (5) in ratios of 90/10, 57/43, and 0/100, respectively, while addition of 2 equiv of DPPB to the CD2Cl2 solution of 6, under an atmosphere of H-2 at RT, gave 4 and 5 in an ratio of 35/65. ''Slowed'' eta(6)-PhBPh(3)(-) rotation about the (eta(6)-PhBPh(3))(-)-Rh bond axis in (eta(6)-PhBPh(3))Rh--(+)(DPPB) (4) was established by a variable-temperature P-31{H-1} NMR study. Variable-temperature (31)p(H-1) NMR spectra of [Rh(DPPB)(2)](+)BPh(4)(-) (5) along with the low-temperature P-31{H-1} COSY and EXSY NMR spectra demonstrated the presence of an equilibrium between [Rh(DPPB)(2)](+) (5 alpha) and [Rh(DPPB)(mu-DPPB)](2+)(2) (5 beta).

  DOI：

  10.1021/om960112s