(2-[2-(4-carbomethoxy)oxazolinyl]phenyl-C,N)(dimethyl thiophosphate)(acetone)palladium(II) | 797800-13-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (2-[2-(4-carbomethoxy)oxazolinyl]phenyl-C,N)(dimethyl thiophosphate)(acetone)palladium(II)
• CAS: 797800-13-6
• 化学式: C₁₆H₂₂NO₇PPdS
• 分子量: 509.813
• InChiKey: XLSKUHOIGIBPFL-DXYFNVQQSA-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

• 作为产物：
  描述：

  (R,S)-di-μ-(dimethylthiophosphate-S,S)-bis(2-[2-(4-carbomethoxy)oxazolinyl]phenyl-C,N)dipalladium(II) 、 甲基对硫磷 、 丙酮 以 丙酮 为溶剂， 生成 (2-[2-(4-carbomethoxy)oxazolinyl]phenyl-C,N)(dimethyl thiophosphate)(acetone)palladium(II)
  参考文献：
  名称：

  Use of an Organometallic Palladium Oxazoline Catalyst for the Hydrolysis of Methylparathion

  摘要：

  Reaction of (S)-4-carbomethoxy-2-phenyl-2-oxazoline with Pd(OAc)2 leads to the formation of the ortho-palladated complex (SS)-di-mu-(acetate)-bis{2-[2-(4-carbomethoxy)oxazolinyl]-phenyl-C,N}dipalladium(II) (1). In the presence of water, this complex reacts with methylparathion to produce p-nitrophenol as well as two oxazoline palladium dimethylthiophosphate complexes (2 and 3), which have been observed in solution by P-31 NMR. This reaction is accompanied by racemization of the oxazoline ligand and ultimately produces the dinuclear complex (R,S)-di-mu-(dimethylthiophosphate-SS)-bis{2-[2-(4-carbomethoxy)oxazolinyl]phenyl-C,N}dipal-ladium(II) (4), which features bridging dimethylthiophosphate ligands. At pH 9-10, complex 1 serves as a precatalyst for the hydrolysis of methylparathion. The reaction rate has a first-order dependence in substrate and palladium catalyst with a second-order rate constant of 726 (+/- 30) M-1 s(-1) at pH 9.0.

  DOI：

  10.1021/om049687c