[Ni(bis(2-dipehnylphosphinoethyl)phenylphosphine)(CO)] | 33847-65-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [Ni(bis(2-dipehnylphosphinoethyl)phenylphosphine)(CO)]
• 英文别名: bis(2-diphenylphosphanylethyl)-phenylphosphane;carbon monoxide;nickel
• CAS: 33847-65-3
• 化学式: C₃₅H₃₃NiOP₃
• 分子量: 621.258
• InChiKey: XFIPMXFGHYLTNE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.02
• 重原子数：
  40
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  [MeCo((difluoroboryl)dimethylglyoximato)2(pyridine)] 、 [Ni(bis(2-dipehnylphosphinoethyl)phenylphosphine)(CO)] 以 氘代乙腈 、 氘代苯 为溶剂， 以0%的产率得到[MeNi(bis(2-diphenylphosphinoethyl)phenylphosphine)][Co((difluoroboryl)dimethylglyoximato)2(pyridine)]
  参考文献：
  名称：

  Methyl Transfer from Methylcobaloxime to (Triphos)Ni(PPh₃):  Relevance to the Mechanism of Acetyl Coenzyme A Synthase

  摘要：

  The zerovalent nickel complex, (triphos)Ni(PPh3), is quantitatively alkylated by a methylcobaloxime reagent. Independent chemical synthesis confirms the nickel-containing product as the cation, [(triphos)NiMe](+). These studies provide small molecule precedent for a Ni(0) nucleophile during acetyl coenzyme A synthase (ACS) biocatalysis. That the corresponding (triphos)NiCO is not a substrate for the reaction provides a chemical-based rationale for ordered binding of methyl followed by CO.

  DOI：

  10.1021/ja072063o
• 作为产物：
  描述：

  Bis(2-diphenylphosphanylethyl)-phenylphosphane;carbon monoxide;nickel 以 not given 为溶剂， 生成 [Ni(bis(2-dipehnylphosphinoethyl)phenylphosphine)(CO)]
  参考文献：
  名称：

  Polytertiary phosphines and arsines. III. Metal complexes of the tritertiary phosphine bis(2-diphenylphosphinoethyl)phenylphosphine

  摘要：

  DOI：

  10.1021/ic50103a001

文献信息

• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Ni: Org.Verb.1, 1.1.5.2.4.2, page 148 - 155
  作者：

  DOI：——

  日期：——
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Ni: Org.Verb.1, 1.1.5.4.1.3.6, page 230 - 251
  作者：

  DOI：——

  日期：——
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Ni: Org.Verb.1, 1.1.5.1.5, page 121 - 121
  作者：

  DOI：——

  日期：——
• An Anionic Zerovalent Nickel Carbonyl Complex Supported by a Triphosphine Borate Ligand:  An Ni−C⋮O−Li Isocarbonyl
  作者：Hongyi Hou、Arnold L. Rheingold、Clifford P. Kubiak

  DOI：10.1021/om049601f

  日期：2005.1.1

  An anionic zerovalent nickel carbonyl complex, [Ni(PhBP3XCO)] [Li(TiMED)] (1). Supported by a triphosphine borate ligand was prepared and structurally characterized. The solid state. structure shows the coordination of Li+ to the O atom of the CO ligand. The isocarbonyl structure indicates strong electron donor ability of the [PhBP3] ligand and charge redistribution to the carbonyl oxygen. Results of a DFT calculation support this view. Complex 1 represents the first example of a Lewis acid O atom adduct of a Ni(0) carbonyl complex.
• King, R. B., AD 712739 (1970)
  作者：King, R. B.

  DOI：——

  日期：——