[Pd(acetonitrile)Me(1-CH2P(4-CH3OC6H4)2-4-CH2PPh2-C6H4)](OTf) | 917496-99-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: [Pd(acetonitrile)Me(1-CH2P(4-CH3OC6H4)2-4-CH2PPh2-C6H4)](OTf)
• 英文别名: [Pd(1-(diphenylphosphinomethyl)-2-[bis(4-methoxyphenyl)phosphinomethyl]benzene)(NCCH3)(CH3)](trifluoromethane sulfonate)
• CAS: 917496-99-2；913729-27-8
• 化学式: CF₃O₃S*C₃₇H₃₈NO₂P₂Pd
• 分子量: 846.152
• InChiKey: IASNOQJUNFFLMN-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：

  [Pd(acetonitrile)Me(1-CH2P(4-CH3OC6H4)2-4-CH2PPh2-C6H4)](OTf) 、 C13取代的一氧化碳 以 not given 为溶剂， 生成 [Pd(acetonitrile)(Me(13)CO)(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：

  1-CH2P(4-OCH3C6H4)2-4-CH2PPh2-C6H4 以 二氯甲烷 、 乙腈 为溶剂， 生成 [Pd(acetonitrile)Me(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

文献信息

• Olefin insertion in Pd-acyl complexes modified with 1,4-Cs-symmetrical diphosphine ligands
  作者：Antonella Leone、Giambattista Consiglio

  DOI：10.1016/j.jorganchem.2006.06.029

  日期：2006.10

  The insertion of ethene and propene was investigated in palladium(II) acyl complexes of the type [PdC(O)CH3(P∧P′)(CH3CN)](OTf) modified with the Cs-symmetric diphosphines 2–4 and the parent ligand 1, described by C2v-symmetry and taken as a reference.

  乙烯和丙烯的插入在钯进行了研究（II）的酰基类型的配合物[PDC（O）CH 3（P ∧ P'）（CH 3 CN）]（OTF）与改性Ç小号-对称二膦2 -参照图4，通过C 2 v-对称性进行说明，并作为参照，参照母体配体1。
• 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.