[Cu(III)Br(C14H21N(CH3)]Br | 1242701-50-3

• 英文名称: [Cu(III)Br(C14H21N(CH3)]Br
• CAS: 1242701-50-3
• 化学式: Br*C₁₅H₂₄BrCuN₃
• 分子量: 469.73
• InChiKey: FWGIHWKBLUFMLP-UHFFFAOYSA-L

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：

  1,10-菲罗啉 、 [Cu(III)Br(C14H21N(CH3)]Br 以 乙腈 为溶剂， 生成 bis(1,10-phenanthroline)copper(I) bromide
  参考文献：
  名称：

  Nucleophilic Aryl Fluorination and Aryl Halide Exchange Mediated by a Cu^I/Cu^III Catalytic Cycle

  摘要：

  Copper-catalyzed halide exchange reactions under very mild reaction conditions are described for the first time using a family of model aryl halide substrates. All combinations of halide exchange (I, Br, Cl, F) are observed using catalytic amounts of Cu-I. Strikingly, quantitative fluorination of aryl X substrates is also achieved catalytically at room temperature, using common F- sources, via the intermediacy of aryl-Cu-III-X species. Experimental and computational data support a redox Cu-I/Cu-III catalytic cycle involving aryl X oxidative addition at the Cu-I center, followed by halide exchange and reductive elimination steps. Additionally, defluorination of the aryl-F model system can be also achieved with Cu-I at room temperature operating under a Cu-I/Cu-III redox pair.

  DOI：

  10.1021/ja2058567
• 作为产物：
  描述：

  [Cu(III)(C14H21N(CH3)](ClO4)2 、 sodium bromide 以 乙腈 为溶剂， 生成 [Cu(III)Br(C14H21N(CH3)]Br
  参考文献：
  名称：

  Copper-Catalyzed Aerobic Oxidative Functionalization of an Arene C−H Bond: Evidence for an Aryl-Copper(III) Intermediate

  摘要：

  Recent studies have highlighted the ability of Cu-II to catalyze the aerobic oxidative functionalization of C-H bonds; however, very little is known about the mechanisms of these reactions. Here, we describe the Cu-II-catalyzed C-H methoxylation and amidation of a macrocylic arene substrate with O-2 as the stoichiometric oxidant. Kinetic and in situ spectroscopic studies demonstrate the involvement of three different oxidation states of Cu in the catalytic mechanism, including an aryl-Cu-III intermediate. These observations establish a novel mechanistic pathway that has implications for numerous other Cu-catalyzed aerobic oxidation reactions.

  DOI：

  10.1021/ja1045378