cis-[κ2-(Ph2PC2H4SMe)-κ1-(Ph2PC2H4SPh)PdCl]Cl | 1122510-85-3

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: cis-[κ2-(Ph2PC2H4SMe)-κ1-(Ph2PC2H4SPh)PdCl]Cl
• 英文别名: diphenyl(2-phenylsulfanylethyl)phosphane;2-methylsulfanylethyl(diphenyl)phosphane;palladium(2+);dichloride
• CAS: 1122510-85-3
• 化学式: C₃₅H₃₆ClP₂PdS₂*Cl
• 分子量: 760.076
• InChiKey: RIDJMJGOLKOTCK-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  42
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  50.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  cis-[κ2-(Ph2PC2H4SMe)-κ1-(Ph2PC2H4SPh)PdCl]Cl 以 二氯甲烷-D2 为溶剂， 生成 trans-{PdCl2(Ph2P(CH2)2SPh)2} 、 cis-[κ2-(Ph2PC2H4SMe)-κ1-(Ph2PC2H4SMe)PdCl]Cl
  参考文献：
  名称：

  Reversible Ligand Pairing and Sorting Processes Leading to Heteroligated Palladium(II) Complexes with Hemilabile Ligands

  摘要：

  Halide-induced ligand pairing and sorting processes have been observed in the context of Pd(II) complexes with hemilabile P,S and P,O ligands. Mixing of the ligands Ph2PCH2CH2SMe (7) and Ph2PCH2CH2SPh (8) with a Pd(II) precursor in CH2Cl2 results in a mixture of [(7)(2)ClPd]Cl, [(8)(2)Cl2Pd], and [(7)(8)ClPd]Cl complexes at 20 degrees C. This equilibrium can be driven toward the heteroligated structure [(7)(8)ClPd]Cl by (1) cooling the mixture or (2) precipitation with hexanes, leading to the exclusive fort-nation of semiopen heteroligated complex cis-[kappa(2)-(7)-kappa(1)-(8)ClPd]Cl (9a), as confirmed by a single-crystal X-ray diffraction study and solid state CPMAS P-31{H-1} NMR spectroscopy. Dissolution of 9a in CH2Cl2 leads to the original mixture of complexes, which illustrates the reversible nature of this ligand pairing and sorting process. Similar processes occur when a combination of P,S and P,O ligands is used. The semiopen heteroligated complexes can be chemically manipulated in a reversible fashion to form closed complexes, allowing for control of the relative position and flexibility between neighboring substituents in these "tweezer"-like structures. Control experiments suggest these ligand sorting and pairing processes occur via a halide-induced ligand rearrangement (HILR) reaction.

  DOI：

  10.1021/om801060m
• 作为产物：
  描述：

  dichloro(cycloocta-1,5-diene)palladium (II) 、 1-(methylthio)-2-(diphenylphosphino)ethane 、 (2-(phenylthio)ethyl)diphenylphosphine 以 二氯甲烷 为溶剂， 以78%的产率得到cis-[κ2-(Ph2PC2H4SMe)-κ1-(Ph2PC2H4SPh)PdCl]Cl
  参考文献：
  名称：

  Reversible Ligand Pairing and Sorting Processes Leading to Heteroligated Palladium(II) Complexes with Hemilabile Ligands

  摘要：

  Halide-induced ligand pairing and sorting processes have been observed in the context of Pd(II) complexes with hemilabile P,S and P,O ligands. Mixing of the ligands Ph2PCH2CH2SMe (7) and Ph2PCH2CH2SPh (8) with a Pd(II) precursor in CH2Cl2 results in a mixture of [(7)(2)ClPd]Cl, [(8)(2)Cl2Pd], and [(7)(8)ClPd]Cl complexes at 20 degrees C. This equilibrium can be driven toward the heteroligated structure [(7)(8)ClPd]Cl by (1) cooling the mixture or (2) precipitation with hexanes, leading to the exclusive fort-nation of semiopen heteroligated complex cis-[kappa(2)-(7)-kappa(1)-(8)ClPd]Cl (9a), as confirmed by a single-crystal X-ray diffraction study and solid state CPMAS P-31{H-1} NMR spectroscopy. Dissolution of 9a in CH2Cl2 leads to the original mixture of complexes, which illustrates the reversible nature of this ligand pairing and sorting process. Similar processes occur when a combination of P,S and P,O ligands is used. The semiopen heteroligated complexes can be chemically manipulated in a reversible fashion to form closed complexes, allowing for control of the relative position and flexibility between neighboring substituents in these "tweezer"-like structures. Control experiments suggest these ligand sorting and pairing processes occur via a halide-induced ligand rearrangement (HILR) reaction.

  DOI：

  10.1021/om801060m