dicarbonyl[bis[bis(4-methoxyphenyl)phosphino]ferrocene]nickel(0) | 205497-66-1

• 英文名称: dicarbonyl[bis[bis(4-methoxyphenyl)phosphino]ferrocene]nickel(0)
• CAS: 205497-66-1
• 化学式: C₄₀H₃₆FeNiO₆P₂
• 分子量: 789.207
• InChiKey: VRXRWKRUXARWAF-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

• 作为产物：
  描述：

  以 氘代甲苯 为溶剂， 反应 0.17h， 生成 dicarbonyl[bis[bis(4-methoxyphenyl)phosphino]ferrocene]nickel(0)
  参考文献：
  名称：

  配体对镍-酮配合物稳定性的电子效应

  摘要：

  合成了电子变体（dppf）Ni（乙烯酮）配合物，并对其进行了动力学分析，以对其通过羰基化/歧化成Ni-CO配合物和烯烃的分解过程进行动力学分析。含有给电子基团的配体稳定了这种配合物，而吸电子基团使它们不稳定。Hammett对分解反应的分析揭示了在速率确定步骤中负电荷的积累，这证实了过去的计算模型。

  DOI：

  10.1021/acs.organomet.8b00484

文献信息

• Systematic Variation of Bidentate Ligands Used in Aryl Halide Amination. Unexpected Effects of Steric, Electronic, and Geometric Perturbations
  作者：Blake C. Hamann、John F. Hartwig

  DOI：10.1021/ja9721881

  日期：1998.4.1

  This paper presents effects of varying bidentate phosphine steric properties, electronic properties, and bite angle on product ratios in the amination of aryl bromides. Comparisons of the ratios of amine products to dehydrohalogenation products showed that catalysts containing electron rich, modestly hindered phosphines with small bite angles (similar to 90 degrees) gave the best selectivities. Surprisingly, the arene side product formed from reaction of alkylamines deuterated in the N-H position or deuterated in the position or to the nitrogen showed low levels of deuterium incorporation in many examples. Steric properties and ligand bite angle had the greatest impact on the selectivity for monoarylation versus diarylation of primary amines: ligands with small bite angles gave higher monoarylation-to-diarylation ratios, as did ligands with increased steric bulk. Electron poor or sterically hindered bidentate phosphines reduced the amount of product resulting from aryl exchange of electron rich palladium-bound arenes with those of aryl groups on the phosphine ligands.