| 113380-13-5

• CAS: 113380-13-5
• 化学式: C₂₃H₅₃NbO₂P₄Si
• 分子量: 606.56
• InChiKey: QCMHAUKSVJIQKY-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：

  在 Me₃SiCl 作用下， 以 further solvent(s) 为溶剂， 生成
  参考文献：
  名称：

  由羰基金属和异氰化物配合物生成的卡宾；羰基和 CNR 配体还原偶联的中间体

  摘要：

  Isolement et caracterisation structuree d'un intermediaire-cle dans le couplage reductif de CO, [M(CO){COSi(i-Pr) 3 }(dmpe) 2 ] (M=Nb, Ta)。[Re(CNHR)(CNR) 2 (PMePh 2 ) 2 Cl] +

  DOI：

  10.1021/ja00216a062
• 作为产物：
  描述：

  NbCl(CO)2(dmpe)2 在 Na/Hg 、 (i-Pr)3SiCl 作用下， 以 四氢呋喃 为溶剂， 以94%的产率得到
  参考文献：
  名称：

  由羰基金属和异氰化物配合物生成的卡宾；羰基和 CNR 配体还原偶联的中间体

  摘要：

  Isolement et caracterisation structuree d'un intermediaire-cle dans le couplage reductif de CO, [M(CO){COSi(i-Pr) 3 }(dmpe) 2 ] (M=Nb, Ta)。[Re(CNHR)(CNR) 2 (PMePh 2 ) 2 Cl] +

  DOI：

  10.1021/ja00216a062

文献信息

• Mechanistic studies of the reductive coupling of carbon monoxide in seven-coordinate niobium(I) and tantalum(I) dicarbonyl complexes
  作者：Raymond N. Vrtis、Shuncheng Liu、C. Pulla Rao、Simon G. Bott、Stephen J. Lippard

  DOI：10.1021/om00047a061

  日期：1991.1

  The mechanism by which the two carbonyl ligands in the seven-coordinate complexes [M(CO)2(dmpe)2Cl] [M = Ta, Nb; dmpe = 1,2-bis(dimethylphosphino)ethane] are reductively coupled has been elucidated. The first step involves two-electron reduction to afford the [M(CO)2(dmpe)2]- anion, the tantalum analogue of which was structurally characterized as the tetra-hexylammonium salt. The geometry of this anion is distorted octahedral with cis-carbonyl ligands. Reaction of the anion with 1 equiv of trialkylsilyl chloride yields the siloxycarbyne species [M(= COSiR3)(CO)(dmpe)2] (M = Ta or Nb), formed by electrophilic attack of the silyl halide on the carbonyl oxygen atom. The tantalum triisopropylsiloxycarbyne complex, the X-ray structural analysis of which is described, reacts with 1 equiv of trimethylsilyl chloride to afford the asymmetric acetylene complex, [TaMe3SiOC = COSi(iota-Pr)3}(dmpe)2Cl], which was also structurally characterized. The transition state between the carbyne and coupled products may be an eta2-ketenyl of the type [Taeta2-(O)CCOSiR3}(dmpe)2X]- (X = halide). Such an assignment is supported by a series of experiments involving addition of different silyl halide reagents (Me3SiX; X = Cl, I, OTf) to (n-C6H13)4N[Ta(CO)2(dmpe)2]. The generality of the reaction mechanism is discussed.