| 158181-13-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• CAS: 158181-13-6
• 化学式: C₂₇H₅₆N₄P₂Pt
• 分子量: 693.796
• InChiKey: KABLDADQPNGNEH-UHFFFAOYSA-N

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

• 作为反应物：
  描述：

  以 not given 为溶剂， 生成
  参考文献：
  名称：

  C-H Activation by [Bis(dialkoxyphosphino)ethane]platinum(0) and [Bis(diaminophosphino)ethane]platinum(0) Complexes: Platinum-Platinum Dimer Formation Limits Yields

  摘要：

  Syntheses, of new bidentate phosphorus-containing ligands and platinacycles that insert into C-H bonds of unactivated hydrocarbons under mild conditions are reported. The reactivities of the platinum neopentyl hydride species can be substantially increased by introducing oxygen- or nitrogen-containing substituents onto the phosphorus atoms. Dimeric species that are formed from the Pt(0) species are identified by comparing their P-31 NMR spectra with simulated spectra. Further evidence for these dimers was obtained by cleaving them to mononuclear derivatives with alkyne and phosphine ligands. Formation of these dimers limits the efficiency of hydrocarbon activation. The extent of dimerization that occurs during alkane activation depends upon the steric crowdedness about the Pt(0) center. The X-ray structure of [-(CH2)4-C(CH2O)2]PCH2CH2P[(OCH2)2C-(CH2)4-]Pt(neo-Pe)Cl (9) has been determined: C21H39O4PtCl2.CH2Cl2, M(r) = 732.96, monoclinic, space group P2(1)/n (No. 14), a = 14.667(3) angstrom b = 11.384(6) angstrom, c = 17.110(4) angstrom, beta = 100.62(2)-degrees, V= 2808(3) angstrom3, z = 4, D(calc) = 1.734 g CM-3, mu(Mo Kalpha) = 54.74 cm-1, R = 0.048, R(w) = 0.055.

  DOI：

  10.1021/om00020a012
• 作为产物：
  描述：

  [((C₅H₁₀N)2P)2CH₂CH₂]PtCl[CH₂C(CH₃)3] 在 Na[HB(OCH₃)3] 作用下， 以 四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  C-H Activation by [Bis(dialkoxyphosphino)ethane]platinum(0) and [Bis(diaminophosphino)ethane]platinum(0) Complexes: Platinum-Platinum Dimer Formation Limits Yields

  摘要：

  Syntheses, of new bidentate phosphorus-containing ligands and platinacycles that insert into C-H bonds of unactivated hydrocarbons under mild conditions are reported. The reactivities of the platinum neopentyl hydride species can be substantially increased by introducing oxygen- or nitrogen-containing substituents onto the phosphorus atoms. Dimeric species that are formed from the Pt(0) species are identified by comparing their P-31 NMR spectra with simulated spectra. Further evidence for these dimers was obtained by cleaving them to mononuclear derivatives with alkyne and phosphine ligands. Formation of these dimers limits the efficiency of hydrocarbon activation. The extent of dimerization that occurs during alkane activation depends upon the steric crowdedness about the Pt(0) center. The X-ray structure of [-(CH2)4-C(CH2O)2]PCH2CH2P[(OCH2)2C-(CH2)4-]Pt(neo-Pe)Cl (9) has been determined: C21H39O4PtCl2.CH2Cl2, M(r) = 732.96, monoclinic, space group P2(1)/n (No. 14), a = 14.667(3) angstrom b = 11.384(6) angstrom, c = 17.110(4) angstrom, beta = 100.62(2)-degrees, V= 2808(3) angstrom3, z = 4, D(calc) = 1.734 g CM-3, mu(Mo Kalpha) = 54.74 cm-1, R = 0.048, R(w) = 0.055.

  DOI：

  10.1021/om00020a012