palladium(II) 2-((di-tert-butylphosphaneyl)methyl)-6-(methoxymethyl)benzen-1-ide trifluoromethanesulfonate | 1277173-65-5

• 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: palladium(II) 2-((di-tert-butylphosphaneyl)methyl)-6-(methoxymethyl)benzen-1-ide trifluoromethanesulfonate
• CAS: 1277173-65-5
• 化学式: CF₃O₃S*C₁₇H₂₈OP*Pd
• 分子量: 534.873
• InChiKey: NRKMWHGXSUABTH-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  5.26
• 重原子数：
  28.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  66.43
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  palladium(II) 2-((di-tert-butylphosphaneyl)methyl)-6-(methoxymethyl)benzen-1-ide trifluoromethanesulfonate 、 potassium hydroxide 以 苯 为溶剂， 生成 (C₆H₃(CH₂OCH₃)(CH₂P(C(CH₃)3)2))PdOH 、 ditert-butyl-[[3-(methoxymethyl)benzene-2-id-1-yl]methyl]phosphane;palladium(2+);dihydroxide
  参考文献：
  名称：

  Syntheses and Characterization of Palladium Complexes with a Hemilabile “PCO” Pincer Ligand

  摘要：

  The synthesis of a new pincer ligand ((tBu)PCO = 2-(CH(2)P(t)Bu(2))-6-(CH(2)OCH(3))C(6)H(3)) is reported. This ligand has been observed to coordinate in three different modes to palladium. The (tBu)pco ligand coordinates in a monodentate fashion through the phosphine moiety in the dimeric [((tBu)PCO)Pd(Cl)(mu-Cl)](2). Bidentate coordination is observed through the phosphine and the aryl ring in the binuclear [((tBu)PCO)Pd(mu-OH)](2). The traditional tridentate coordination mode of a pincer is observed in the monomeric complex ((tBu)PCO)PdCl, wherein the ether oxygen provides the third point of attachment. Each of these novel palladium(II) complexes was characterized by NMR spectroscopy, elemental analyses, and single-crystal X-ray crystallography. A variety of other palladium(II) complexes of (tBu)PCO have also been prepared and characterized, including the hydroxide complex ((tBu)PCO)PdOH. The reactivity of the hydroxide complex with CO(2), CO, and H(2) is reported.

  DOI：

  10.1021/om101150y
• 作为产物：
  描述：

  ditert-butyl-[[3-(methoxymethyl)benzene-2-id-1-yl]methyl]phosphane;palladium(2+);chloride 、 silver trifluoromethanesulfonate 以 苯 为溶剂， 生成 palladium(II) 2-((di-tert-butylphosphaneyl)methyl)-6-(methoxymethyl)benzen-1-ide trifluoromethanesulfonate
  参考文献：
  名称：

  Syntheses and Characterization of Palladium Complexes with a Hemilabile “PCO” Pincer Ligand

  摘要：

  The synthesis of a new pincer ligand ((tBu)PCO = 2-(CH(2)P(t)Bu(2))-6-(CH(2)OCH(3))C(6)H(3)) is reported. This ligand has been observed to coordinate in three different modes to palladium. The (tBu)pco ligand coordinates in a monodentate fashion through the phosphine moiety in the dimeric [((tBu)PCO)Pd(Cl)(mu-Cl)](2). Bidentate coordination is observed through the phosphine and the aryl ring in the binuclear [((tBu)PCO)Pd(mu-OH)](2). The traditional tridentate coordination mode of a pincer is observed in the monomeric complex ((tBu)PCO)PdCl, wherein the ether oxygen provides the third point of attachment. Each of these novel palladium(II) complexes was characterized by NMR spectroscopy, elemental analyses, and single-crystal X-ray crystallography. A variety of other palladium(II) complexes of (tBu)PCO have also been prepared and characterized, including the hydroxide complex ((tBu)PCO)PdOH. The reactivity of the hydroxide complex with CO(2), CO, and H(2) is reported.

  DOI：

  10.1021/om101150y