[[(C6H3(CH2OCH3)(CH2P(C(CH3)3)2))Pd]2(μ-Cl)][tetrakis[3.5-bis(trifluoromethyl)phenyl]boron] | 1277173-54-2

• 英文名称: [[(C6H3(CH2OCH3)(CH2P(C(CH3)3)2))Pd]2(μ-Cl)][tetrakis[3.5-bis(trifluoromethyl)phenyl]boron]
• CAS: 1277173-54-2
• 化学式: C₃₂H₁₂BF₂₄*C₃₄H₅₆ClO₂P₂Pd₂
• 分子量: 1670.28
• InChiKey: PYWUSPWYCZJZHB-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：

  [[(C6H3(CH2OCH3)(CH2P(C(CH3)3)2))Pd]2(μ-Cl)][tetrakis[3.5-bis(trifluoromethyl)phenyl]boron] 、 potassium hydroxide 以 氘代苯 为溶剂， 生成 [[(C6H3(CH2OCH3)(CH2P(C(CH3)3)2))Pd]2(μ-OH)][tetrakis[3.5-bis(trifluoromethyl)phenyl]boron]
  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 、 四(3,5-二(三氟甲基)苯基)硼酸钠 以 氘代四氢呋喃 为溶剂， 生成 [[(C6H3(CH2OCH3)(CH2P(C(CH3)3)2))Pd]2(μ-Cl)][tetrakis[3.5-bis(trifluoromethyl)phenyl]boron]
  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