Pd(IV)Me3(N,N',N''-trimethyl-1,4,7-triazacyclononane)I | 1380710-00-8

• 分子结构分类: 有机化合物
• 英文名称: Pd(IV)Me3(N,N',N''-trimethyl-1,4,7-triazacyclononane)I
• 英文别名: (Me3tacn)Pd(IV)Me3I
• CAS: 1380710-00-8
• 化学式: C₁₂H₃₀N₃Pd*I
• 分子量: 449.715
• InChiKey: DMVQVJXTXGSLSK-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

• 作为产物：
  描述：

  1,4,7-三甲基-1,4,7-三氮杂环壬烷 生成 Pd(IV)Me3(N,N',N''-trimethyl-1,4,7-triazacyclononane)I
  参考文献：
  名称：

  Formation of the Palladium(IV) Complex [(Me₃tacn)Pd^IVMe₃]⁺through Aerobic Oxidation of (Me₃tacn)Pd^IIMe₂(Me₃tacn =N,N′,N″-Trimethyl-1,4,7-triazacyclononane)

  摘要：

  The dimethyl Pd-II complex (Me(3)tacn)(PdMe2)-Me-II (Me(3)tacn = N,N',N ''-trimethyl-1,4,7-triazacyclononane) undergoes facile aerobic oxidation to yield the stable species [(Me(3)tacn)(PdMe3)-Me-IV](+). EPR, UV-vis, and ESI-MS studies suggest an inner-sphere mechanism for the oxidation of (Me(3)tacn)PdMe2 by O-2 and formation of Pd-IV species. In addition, the structurally characterized complex [(Me(3)tacn)pd(IV)Me(3)]I undergoes selective elimination of ethane at elevated temperatures. Overall, this system represents one of the first examples of aerobic oxidation of a Pd-II organometallic precursor to yield a well-defined Pd-IV product, supporting the role of Pd-IV species as viable intermediates in Pd-mediated catalytic or stoichiometric aerobic oxidative transformations.

  DOI：

  10.1021/om300426r