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| 184361-51-1

中文名称
——
中文别名
——
英文名称
——
英文别名
——
化学式
CAS
184361-51-1
化学式
C22H51OP2Pt*C32H12BF24
mdl
——
分子量
1451.89
InChiKey
NBYXVOPYCKUWKP-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    None
  • 重原子数:
    None
  • 可旋转键数:
    None
  • 环数:
    None
  • sp3杂化的碳原子比例:
    None
  • 拓扑面积:
    None
  • 氢给体数:
    None
  • 氢受体数:
    None

反应信息

  • 作为产物:
    参考文献:
    名称:
    Syntheses and Structures of Alkyl and Aryl Halide Complexes of the Type [(PiPr3)2PtH(η1-XR)]BArf 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
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