[(Cu(II)(N,N-bis(2-[2-(N'N'-4-dimethylamino)pyridyl]ethyl)methylamine)2(O2(2-))](2+) | 494191-15-0

• 英文名称: [(Cu(II)(N,N-bis(2-[2-(N'N'-4-dimethylamino)pyridyl]ethyl)methylamine)2(O2(2-))](2+)
• 英文别名: [(CH3N(C2H4C5H3NN(CH3)2)2)2(η2:η2-μ-peroxo)dicopper(II)]；[(Cu(II)(MePY2)(Me2N))2(O2(2-)](2+)
• CAS: 494191-15-0
• 化学式: C₃₈H₅₈Cu₂N₁₀O₂
• 分子量: 814.036
• InChiKey: QXXJBXVFTYFANG-UHFFFAOYSA-N

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：

  [(Cu(II)(N,N-bis(2-[2-(N'N'-4-dimethylamino)pyridyl]ethyl)methylamine)2(O2(2-))](2+) 在 dimethylferrocene 作用下， 以 二氯甲烷 为溶剂， 生成 [(CH3N(C2H4C5H3NN(CH3)2)2)2(bis-μ-hydroxo)dicopper(II)]
  参考文献：
  名称：

  Substrate Oxidation by Copper−Dioxygen Adducts:  Mechanistic Considerations

  摘要：

  A series of copper-dioxygen adducts [{Cu-II(MePY2)(R)}(2)(O-2)](B(C6F5)(4))(2) (1(R)), systematically varying in their electronic properties via ligand pyridyl donor substituents (R = H, MeO, and Me2N), oxidize a variety of substrates with varying C-H or O-H bond dissociation enthalpies. Detailed mechanistic studies have been carried out, including investigation of 1(R) thermodynamic redox properties, 1(R) tetrahydrofuran (THF) and N,N'-dimethylaniline (DMA) oxidation kinetics (including analyses of substrate dicopper binding equilibria), and application of mechanistic probes (N-cyclopropyl-N-methylaniline (CMA) and (p-methoxyphenyl)-2,2-dimethylpropanol (MDP)), which can distinguish if proton-coupled electron-transfer (PCET) processes proceed through concerted electron-transfer proton-transfer (ETPT) or consecutive electron-transfer proton-transfer (ET/PT) pathways. The results are consistent with those of previous complementary studies; at low thermodynamic driving force for substrate oxidation, an ET/PT is operable, but once ET (i.e., substrate one-electron oxidation) becomes prohibitively uphill, the ETPT pathway occurs. Possible differences in coordination structures about 1(Me2N)/1(MeO) compared to those of 1(H) are also used to rationalize some of the observations.

  DOI：

  10.1021/ja045191a
• 作为产物：
  描述：

  [(Cu(II)(N,N-bis(2-[2-(N'N'-4-dimethylamino)pyridyl]ethyl)methylamine)2(S2(2-))](2+) 、 氧气 以 二氯甲烷 为溶剂， 生成 [(Cu(II)(N,N-bis(2-[2-(N'N'-4-dimethylamino)pyridyl]ethyl)methylamine)2(O2(2-))](2+)
  参考文献：
  名称：

  S8与铜（I）前体反应产生的mu-eta2：eta2-二硫二铜（II）络合物：结合的二硫部分的反应活性。

  摘要：

  DOI：

  10.1002/anie.200503216