(t)Bu3PPd(Me)OTf | 911835-39-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: (t)Bu3PPd(Me)OTf
• 英文别名: carbanide;palladium(2+);tritert-butylphosphane;trifluoromethanesulfonate
• CAS: 911835-39-7
• 化学式: C₁₄H₃₀F₃O₃PPdS
• 分子量: 472.845
• InChiKey: VTIFEBRYDDONRR-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  5.36
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  65.6
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  chloro (tri-tert-butylphosphine)methylpalladium(II) 、 silver trifluoromethanesulfonate 以 二氯甲烷 为溶剂， 以77%的产率得到(t)Bu3PPd(Me)OTf
  参考文献：
  名称：

  Syntheses and Structures of Bulky Monophosphine-Ligated Methylpalladium Complexes:  Application to Homo- and Copolymerization of Norbornene and/or Methoxycarbonylnorbornene

  摘要：

  Several new bulky monophosphine-ligated methylpalladium complexes were synthesized. Treatment of Pd(cod)MeCl (cod = cyclooctadiene) with bulky phosphines, (PBu3)-Bu-t, or P(o-tol)(3) afforded monophosphine-ligated methylpalladium chloride complexes 1a and 1b, which were isolated as crystalline solids in excellent yields. The structures depended on the shape of the ligand: a mononuclear three-coordinate structure for 1a and a chloride-bridged dinuclear structure for 1b. Absorption of chloride from methylpalladium chloride complexes 1a and 1b afforded the corresponding methylpalladium triflate complexes 2a and 2b, which were structurally characterized by NMR spectroscopy and X-ray crystallography. In the presence of NaB[3,5-(CF3)(2)C6H3](4), 1a and 1b catalyzed the addition homopolymerization of norbornene or methoxycarbonylnorbornene. The activity of the catalyst was found to be dependent on the structure of the complexes and the counteranions. The catalyst system 1a-NaB[3,5-(CF3)(2)C6H3]4 was also active for the copolymerization of norbornene and methoxycarbonylnorbornene to form a block-type copolymer. The obtained copolymer has the highest ester content probably due to the two vacant sites on the palladium. The molecular weight distribution reached the narrowest value, indicating the long lifetime of the catalyst.

  DOI：

  10.1021/om060347w