[PdClMe(1-CH2P(4-OCH3C6H4)2-4-CH2PPh2-C6H4)] | 917496-88-9

• 英文名称: [PdClMe(1-CH2P(4-OCH3C6H4)2-4-CH2PPh2-C6H4)]
• 英文别名: [Pd(1-(diphenylphosphinomethyl)-2-[bis(4-methoxyphenyl)phosphinomethyl]benzene)Cl(CH3)]
• CAS: 917496-88-9
• 化学式: C₃₅H₃₅ClO₂P₂Pd
• 分子量: 691.482
• InChiKey: QUKGXZIOSWYSPS-UHFFFAOYSA-M

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

• 作为反应物：
  描述：

  [PdClMe(1-CH2P(4-OCH3C6H4)2-4-CH2PPh2-C6H4)] 以 氘代氯仿 、 二氯甲烷 、 乙腈 为溶剂， 生成 [Pd(acetonitrile)(MeCO)(1-CH2P(4-CH3OC6H4)2-4-CH2PPh2-C6H4)](OTf)
  参考文献：
  名称：

  Carbonylation studies of Pd-methyl complexes modified with 1,4-Cs-symmetrical diphosphine ligands

  摘要：

  Neutral palladium methyl chloride 2a-d [PdCH3((PP)-P-boolean AND')Cl] and cationic palladium methyl acetonitrile mono-triflate 3a-d [PdCH3((PP)-P-boolean AND')(CH3CN)](CF3SO3).complexes were synthesized and fully characterized ((PP)-P-boolean AND' = 1a-d). All the neutral and cationic complexes containing a C-s-symmetric diphosphine exist in solution as a mixture of geometric isomers. The carbonylation at atmospheric pressure of the neutral and cationic complexes revealed that migratory insertion of carbon monoxide is not stereospecific in these systems. The neutral and cationic acyl complexes were formed in situ as mixtures of stereoisomers, which were characterized by means of NMR spectroscopy.The crystal structures of [Pd(1a)Cl](2)(OTf)(2) and 2d are described. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2006.06.038
• 作为产物：
  描述：

  chloromethyl(1,5-cyclooctadiene)palladium(II) 、 1-CH2P(4-OCH3C6H4)2-4-CH2PPh2-C6H4 以 二氯甲烷 为溶剂， 以88%的产率得到[PdClMe(1-CH2P(4-OCH3C6H4)2-4-CH2PPh2-C6H4)]
  参考文献：
  名称：

  Carbonylation studies of Pd-methyl complexes modified with 1,4-Cs-symmetrical diphosphine ligands

  摘要：

  Neutral palladium methyl chloride 2a-d [PdCH3((PP)-P-boolean AND')Cl] and cationic palladium methyl acetonitrile mono-triflate 3a-d [PdCH3((PP)-P-boolean AND')(CH3CN)](CF3SO3).complexes were synthesized and fully characterized ((PP)-P-boolean AND' = 1a-d). All the neutral and cationic complexes containing a C-s-symmetric diphosphine exist in solution as a mixture of geometric isomers. The carbonylation at atmospheric pressure of the neutral and cationic complexes revealed that migratory insertion of carbon monoxide is not stereospecific in these systems. The neutral and cationic acyl complexes were formed in situ as mixtures of stereoisomers, which were characterized by means of NMR spectroscopy.The crystal structures of [Pd(1a)Cl](2)(OTf)(2) and 2d are described. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2006.06.038

文献信息

• High-pressure NMR study of migratory CO-insertion in palladium–methyl complexes modified with Cs-symmetrical 1,4-diphosphines
  作者：Antonella Leone、Sebastian Gischig、Cornelis J. Elsevier、Giambattista Consiglio

  DOI：10.1016/j.jorganchem.2007.01.020

  日期：2007.4

  Carbonylation of the palladium complexes [PdCH3((PP)-P-boolean AND')Cl] ((PP)-P-boolean AND'= 1a, 1b, 1c, 1d, 1e) and [PdCH3((PP)-P-boolean AND')(CH3CN)](OTf) was investigated by means of high-pressure NMR with the determination of the half-life times t(1/2). The results were rationalized on the basis of the electronic properties of the diphosphines and the nature of the solvento ligand in the first coordination sphere. The crystal structures of the complexes [Pd(1b)Cl-2] and [Pd(1b)(H2O)(2)](OTf)(2) are described (1b = 1-(diphenylphosphinomethyl)-2-[bis(3- trifluoromethylphenyl)phosphinomethyl]benzene). (c) 2007 Elsevier B.V. All rights reserved.