(PPh3)2Pd(Ph)(I) | 18115-61-2

• 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: (PPh3)2Pd(Ph)(I)
• 英文别名: cis[iodobis(triphenylphosphine)phenylpalladium(II)]；Benzene;iodopalladium(1+);triphenylphosphane
• CAS: 18115-61-2；55123-60-9；916454-72-3
• 化学式: C₄₂H₃₅IP₂Pd
• 分子量: 835.012
• InChiKey: VWPBSXGLWVRYHE-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  9.26
• 重原子数：
  46
• 可旋转键数：
  6
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (PPh3)2Pd(Ph)(I) 在 三乙胺 作用下， 以 氘代四氢呋喃 、 苯 为溶剂， 反应 2.25h， 生成 (dippe)Pd(Ph)(S-p-tolyl)
  参考文献：
  名称：

  Dippe配体支持的芳基（芳硫基）钯配合物中芳硫醇基团交换的机理研究。

  摘要：

  Carbon sulfur activation of phenyl p-tolyl sulfide by a mixture of [Pd(dippe)(mu-H)](2) (1a) and dinudear Pd(0), [(mu-dippe)Pd](2) (1b) (dippe = 1,2-bis(diisopropylphosphino)-ethane), to yield four carbon sulfur activation products, (dippe)Pd(p-tolyl)(SPh) (3a), (dippe)Pd(Ph)(S-p-tolyl) (3b), (dippe)Pd(SPh)(Ph)(3c), and (dippe)Pd(p-toly1)(S-p-tolyl) (3d), was investigated. The carbon sulfur complexes 3a-3d were completely characterized by H-1, P-31, and C-13 NMR spectroscopy, elemental analysis, and X-ray diffraction. Exchange interactions between arylthiolate groups in (dippe)Pd(Ar)-(SAr') (3a-3d) were investigated, leading to understanding the mechanism of interconversions among the complexes.

  DOI：

  10.1021/acs.organomet.5b00662
• 作为产物：
  描述：

  四(三苯基膦)钯 、 碘苯 以 苯 为溶剂， 反应 3.0h， 以58%的产率得到(PPh3)2Pd(Ph)(I)
  参考文献：
  名称：

  Dippe配体支持的芳基（芳硫基）钯配合物中芳硫醇基团交换的机理研究。

  摘要：

  Carbon sulfur activation of phenyl p-tolyl sulfide by a mixture of [Pd(dippe)(mu-H)](2) (1a) and dinudear Pd(0), [(mu-dippe)Pd](2) (1b) (dippe = 1,2-bis(diisopropylphosphino)-ethane), to yield four carbon sulfur activation products, (dippe)Pd(p-tolyl)(SPh) (3a), (dippe)Pd(Ph)(S-p-tolyl) (3b), (dippe)Pd(SPh)(Ph)(3c), and (dippe)Pd(p-toly1)(S-p-tolyl) (3d), was investigated. The carbon sulfur complexes 3a-3d were completely characterized by H-1, P-31, and C-13 NMR spectroscopy, elemental analysis, and X-ray diffraction. Exchange interactions between arylthiolate groups in (dippe)Pd(Ar)-(SAr') (3a-3d) were investigated, leading to understanding the mechanism of interconversions among the complexes.

  DOI：

  10.1021/acs.organomet.5b00662

文献信息

• Mechanistic Insights in the Exchange of Arylthiolate Groups in Aryl(arylthiolato)palladium Complexes Supported by a Dippe Ligand
  作者：Lloyd Munjanja、William W. Brennessel、William D. Jones

  DOI：10.1021/acs.organomet.5b00662

  日期：2015.9.28

  Carbon sulfur activation of phenyl p-tolyl sulfide by a mixture of [Pd(dippe)(mu-H)](2) (1a) and dinudear Pd(0), [(mu-dippe)Pd](2) (1b) (dippe = 1,2-bis(diisopropylphosphino)-ethane), to yield four carbon sulfur activation products, (dippe)Pd(p-tolyl)(SPh) (3a), (dippe)Pd(Ph)(S-p-tolyl) (3b), (dippe)Pd(SPh)(Ph)(3c), and (dippe)Pd(p-toly1)(S-p-tolyl) (3d), was investigated. The carbon sulfur complexes 3a-3d were completely characterized by H-1, P-31, and C-13 NMR spectroscopy, elemental analysis, and X-ray diffraction. Exchange interactions between arylthiolate groups in (dippe)Pd(Ar)-(SAr') (3a-3d) were investigated, leading to understanding the mechanism of interconversions among the complexes.