[Pd(acetonitrile)(MeCO)(1-CH2P(cyclohexyl)2-4-CH2PPh2-C6H4)](OTf) | 917392-90-6

• 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: [Pd(acetonitrile)(MeCO)(1-CH2P(cyclohexyl)2-4-CH2PPh2-C6H4)](OTf)
• CAS: 917392-90-6
• 化学式: CF₃O₃S*C₃₆H₄₆NOP₂Pd
• 分子量: 826.205
• InChiKey: YVDJSCJOUBUBHZ-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

• 作为产物：
  描述：

  [PdClMe(1-CH2P(cyclohexyl)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(cyclohexyl)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