(N,N-dimethylaminobenzyl-C(1),N)(4-N,N-dimethylaminopyridine)(aqua)palladium(II) triflate | 1248591-56-1

• 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: (N,N-dimethylaminobenzyl-C(1),N)(4-N,N-dimethylaminopyridine)(aqua)palladium(II) triflate
• CAS: 1248591-56-1
• 化学式: CF₃O₃S*C₁₆H₂₄N₃OPd
• 分子量: 529.876
• InChiKey: VITXKHSOAKQOKG-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  描述：

  (N,N-dimethylaminobenzyl-C(1),N)(4-N,N-dimethylaminopyridine)(aqua)palladium(II) triflate 在 MeONa 作用下， 以 甲醇 为溶剂， 生成 [(N,N-dimethylaminobenzyl)Pd(MeO)(4-N,N-dimethylaminopyridine)]
  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