platinum;sulfur dioxide;tri(propan-2-yl)phosphane | 184361-39-5

• 分子结构分类: 有机化合物 - 有机硫化合物 - 亚砜
• 英文名称: platinum;sulfur dioxide;tri(propan-2-yl)phosphane
• CAS: 184361-39-5
• 化学式: C₁₈H₄₂O₂P₂PtS
• 分子量: 579.624
• InChiKey: XLAWWNUNTKNQAS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.71
• 重原子数：
  24.0
• 可旋转键数：
  9.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  34.14
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  乙醚 、 platinum;sulfur dioxide;tri(propan-2-yl)phosphane 、 tetrakis[3,5-bis(trifluoromethyl)phenyl]boric acid bis(diethyl ether) complex 以 乙醚 为溶剂， 以93%的产率得到ethoxyethane;platinum(1+) monohydride;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide;tri(propan-2-yl)phosphane
  参考文献：
  名称：

  Syntheses and Structures of Alkyl and Aryl Halide Complexes of the Type [(PiPr₃)₂PtH(η¹-XR)]BAr_f and Analogues with Et₂O, THF, and H₂ Ligands. Halide-to-Metal π Bonding in Halocarbon Complexes

  摘要：

  The reaction of Pt(PiPr(3))(3) with SO2 led to the formation of (PiPr(3))(2)Pt(SO2) (1), isolated in 93% yield. The addition of [H(OEt(2))(2)](BArf)-B-+(BArf = B(3,5-(CF3)(2)C6H3)(4)) to 1 in ether at -78 degrees C afforded the solvent complex trans-[(PiPr(3))(2)Pt(H)(OEt(2))]BArf (2) in 85% isolated yield. Complex 2 served as a precursor to monodentate halocarbon complexes of the type Pt(eta(1)-XR). The dichloromethane complex trans-[(PiPr(3))(2)Pt(H)(eta(1)-ClCH2Cl)]BArf (3) was isolated in 80% yield by the recrystallization of 2 from CH2Cl2/hexane. IR spectroscopy suggested the existence of dichloromethane binding which was confirmed by X-ray crystallography. The reaction of 2 or 3 with iodo- or bromobenzene led to the isolation of the haloarene complexes trans-[(PiPr(3))(2)Pt(H)(eta(1)-XPh)]BArf, where X = I (4, 87% yield) or Br (5, 60% yield). Both compounds were characterized spectroscopically and by X-ray crystallography. An unexpected steric interaction in 4, suggested by molecular mechanics calculations to be significant, was rationalized in terms of halide-to-metal pi bonding. The PhI complex 4 decomposed under harsh conditions to the bridging iodide compound {trans-[(PiPr(3))(2)Pt(H)](2)(mu-I)}BArf (6) which was structurally characterized. The THF adduct [(PiPr(3))(2)Pt(H)(THF)]BArf (7), isolated in 78% yield and also characterized by X-ray crystallography, was formed when any of the compounds 2, 3, 4, or 5 was dissolved in THF. The CH2Cl2 complex 3 reacted with H-2 to form the dihydrogen complex tans-[(PiPr(3))(2)Pt(H)(eta(2)-H-2)]BArf which was characterized by NMR spectroscopy.

  DOI：

  10.1021/ja961836y
• 作为产物：
  描述：

  Pt(PiPr3)3 、 二氧化硫 以 乙醚 为溶剂， 以94%的产率得到platinum;sulfur dioxide;tri(propan-2-yl)phosphane
  参考文献：
  名称：

  Syntheses and Structures of Alkyl and Aryl Halide Complexes of the Type [(PiPr₃)₂PtH(η¹-XR)]BAr_f and Analogues with Et₂O, THF, and H₂ Ligands. Halide-to-Metal π Bonding in Halocarbon Complexes

  摘要：

  The reaction of Pt(PiPr(3))(3) with SO2 led to the formation of (PiPr(3))(2)Pt(SO2) (1), isolated in 93% yield. The addition of [H(OEt(2))(2)](BArf)-B-+(BArf = B(3,5-(CF3)(2)C6H3)(4)) to 1 in ether at -78 degrees C afforded the solvent complex trans-[(PiPr(3))(2)Pt(H)(OEt(2))]BArf (2) in 85% isolated yield. Complex 2 served as a precursor to monodentate halocarbon complexes of the type Pt(eta(1)-XR). The dichloromethane complex trans-[(PiPr(3))(2)Pt(H)(eta(1)-ClCH2Cl)]BArf (3) was isolated in 80% yield by the recrystallization of 2 from CH2Cl2/hexane. IR spectroscopy suggested the existence of dichloromethane binding which was confirmed by X-ray crystallography. The reaction of 2 or 3 with iodo- or bromobenzene led to the isolation of the haloarene complexes trans-[(PiPr(3))(2)Pt(H)(eta(1)-XPh)]BArf, where X = I (4, 87% yield) or Br (5, 60% yield). Both compounds were characterized spectroscopically and by X-ray crystallography. An unexpected steric interaction in 4, suggested by molecular mechanics calculations to be significant, was rationalized in terms of halide-to-metal pi bonding. The PhI complex 4 decomposed under harsh conditions to the bridging iodide compound {trans-[(PiPr(3))(2)Pt(H)](2)(mu-I)}BArf (6) which was structurally characterized. The THF adduct [(PiPr(3))(2)Pt(H)(THF)]BArf (7), isolated in 78% yield and also characterized by X-ray crystallography, was formed when any of the compounds 2, 3, 4, or 5 was dissolved in THF. The CH2Cl2 complex 3 reacted with H-2 to form the dihydrogen complex tans-[(PiPr(3))(2)Pt(H)(eta(2)-H-2)]BArf which was characterized by NMR spectroscopy.

  DOI：

  10.1021/ja961836y