[(N,N-dimethylaminobenzyl)Pd(MeOH)(4-trifluoromethylpyridine)](1+) | 1248591-60-7

• 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: [(N,N-dimethylaminobenzyl)Pd(MeOH)(4-trifluoromethylpyridine)](1+)
• CAS: 1248591-60-7
• 化学式: C₁₆H₂₀F₃N₂OPd
• 分子量: 419.763
• InChiKey: XLRMFMIKAMWZGT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 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：

  [(N,N-dimethylaminobenzyl)Pd(MeOH)(4-trifluoromethylpyridine)](1+) 在 MeONa 作用下， 以 甲醇 为溶剂， 生成 [(N,N-dimethylaminobenzyl)Pd(MeO)(4-trifluoromethylpyridine)]
  参考文献：
  名称：

  Palladacycles with C,N-bidentate and N,C,N′-tridentate ligands: Structures, spectral study and catalytic methanolysis of P S pesticides

  摘要：

  Palladacycles 2-4 with C,N-bidentate and N,C,N'-tridentate ligands were prepared and characterized. The X-ray crystal structures of [2,6-bis(N,N-dimethylaminomethyl)phenyl-N,C(1),N'-](aqua)palladium(II) triflate (2), (N,N-dimethylaminobenzyl-C(1),N)(4-trifluoromethylpyridine)(aqua)palladium(II) triflate (3), and (N,N-dimethylaminobenzyl-C(1),N)(4-N,N-dimethylaminopyridine)(aqua)palladium(II) triflate (4), were determined. While 2 is much less active, 3 and 4 effectively catalyze the methanolysis of the P=S pesticides. The catalytic activities were higher with the trifluoromethylpyridine co-ligand as compared to palladacycles containing 4-N, N-dimethylaminopyridine and pyridine co-ligands. (1)H NMR spectra and the catalytic kinetic dependences on concentration and pH revealed that the active species was a pallada-cycle containing one methoxide and one pyridine in the coordination sphere. A plot of the catalytic activity vs. free [pyridine] indicated the participation of a common species. The proposed catalytic mechanism involves a pre-equilibrium binding of the P=S pesticide to palladium(II) center followed by dissociation of the pyridine and subsequent cleavage of the PeOAr unit through the intramolecular displacement on phosphorus by the adjacent Pd-coordinated methoxide. (C) 2010 Elsevier B. V. All rights reserved. ss

  DOI：

  10.1016/j.jorganchem.2010.06.002
• 作为产物：
  描述：

  甲醇 、 (N,N-dimethylaminobenzyl-C(1),N)(4-trifluoromethylpyridine)(aqua)palladium(II) triflate 以 甲醇 为溶剂， 生成 [(N,N-dimethylaminobenzyl)Pd(MeOH)(4-trifluoromethylpyridine)](1+)
  参考文献：
  名称：

  Palladacycles with C,N-bidentate and N,C,N′-tridentate ligands: Structures, spectral study and catalytic methanolysis of P S pesticides

  摘要：

  Palladacycles 2-4 with C,N-bidentate and N,C,N'-tridentate ligands were prepared and characterized. The X-ray crystal structures of [2,6-bis(N,N-dimethylaminomethyl)phenyl-N,C(1),N'-](aqua)palladium(II) triflate (2), (N,N-dimethylaminobenzyl-C(1),N)(4-trifluoromethylpyridine)(aqua)palladium(II) triflate (3), and (N,N-dimethylaminobenzyl-C(1),N)(4-N,N-dimethylaminopyridine)(aqua)palladium(II) triflate (4), were determined. While 2 is much less active, 3 and 4 effectively catalyze the methanolysis of the P=S pesticides. The catalytic activities were higher with the trifluoromethylpyridine co-ligand as compared to palladacycles containing 4-N, N-dimethylaminopyridine and pyridine co-ligands. (1)H NMR spectra and the catalytic kinetic dependences on concentration and pH revealed that the active species was a pallada-cycle containing one methoxide and one pyridine in the coordination sphere. A plot of the catalytic activity vs. free [pyridine] indicated the participation of a common species. The proposed catalytic mechanism involves a pre-equilibrium binding of the P=S pesticide to palladium(II) center followed by dissociation of the pyridine and subsequent cleavage of the PeOAr unit through the intramolecular displacement on phosphorus by the adjacent Pd-coordinated methoxide. (C) 2010 Elsevier B. V. All rights reserved. ss

  DOI：

  10.1016/j.jorganchem.2010.06.002