| 184870-11-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• CAS: 184870-11-9
• 化学式: C₂₁H₁₉N₅O₂*Co
• 分子量: 432.407
• InChiKey: OEKRWTGMFZJVLF-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  cobalt(II) acetate 、 N,N'-bis(2-(2-pyridyl)ethyl)-2,6-pyridinedicarboxamide 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  Multidentate N-heterocyclic podand ligand. Efficient oxygenation of phenols catalyzed by novel cobalt complex

  摘要：

  An efficient catalytic system for oxygenation of phenols to the p- or o-quinones with molecular oxygen was achieved by utilization of a complex catalyst consisting of Co(OAc)(2) and the multidentate N-heterocyclic podand ligand, N,N'-bis-2-(2-pyridyl) ethyl)-2,6-pyridinedicarboxamide.

  DOI：

  10.1016/1381-1169(94)00164-2

文献信息

• Synthesis, Properties, and Structure of a Stable Cobalt(III) Alkyl Peroxide Complex and Its Role in the Oxidation of Cyclohexane
  作者：Ferman A. Chavez、Cattien V. Nguyen、Marilyn M. Olmstead、Pradip K. Mascharak

  DOI：10.1021/ic960500m

  日期：1996.1.1

  Three cobalt(II) complexes of Py(3)PH(2) (H's are the dissociable amide H's), a strong-field ligand with two peptide groups, have been synthesized. They are [Co(Py(3)P)(H2O)]ClO4 . H2O (6), [Co(Py(3)P)(OH)] (7), and [Co(Py(3)P)(OO(t)Bu)].2CH2Cl2 (8). Complex 6 crystallizes in the monoclinic space group C2 with a = 22.695(6) Angstrom, b = 10.284(2) Angstrom, c = 10.908(3) Angstrom, alpha = 90 degrees, beta = 112.17(2)degrees, gamma = 90 degrees, V = 2357.7(10) Angstrom(3) and Z = 4. Its structure has been refined to R = 3.91% on the basis of 1844 I > 2 sigma(I) data. Complex 8 crystallizes in the monoclinic space group P2(1)/n with a = 16.720(4) Angstrom, b = 10.641(3) Angstrom, c = 16.776(3) Angstrom, alpha = 90 degrees, beta = 99.76(2)degrees, gamma = 90 degrees, V = 2941.5(12) Angstrom(3), and Z = 4. The structure of 8 has been refined to R = 6.37% on the basis of 4776 I > 2 sigma(I) reflections. In all three complexes, the doubly deprotonated Py(3)P(2-) ligand binds the cobalt(III) center in a pentadentate fashion with five nitrogens situated in two deprotonated amido groups and three pyridine rings. The aqua complex 6 can easily be converted into the hydroxo complex 7 by the addition of 1 equiv of base. The transformation 6 <-> 7 is reversible, and the pK(a) of the coordinated water molecule in 6 is 7. Complex 8 is the first example of a structurally characterized Co(III) alkyl peroxide complex that contains two deprotonated amido groups bonded to the metal center. Like a few alkyl peroxide complexes of tervalent cobalt, 8 oxidizes alkanes upon thermal decomposition. When cyclohexane is used as the substrate, cyclohexanol, cyclohexanone, and cyclohexyl chloride are the products. Complex 7 is the intermediate in the formation of 8 and is also the thermal decomposition product of 8. In single turnover oxidation of cyclohexane by 8 at the optimum temperature of 80 degrees C, a maximum yield of 59% of the oxidized products is obtained. The mechanism of cyclohexane oxidation by 8 involves exclusive homolytic scission of the O-O bond in 8. The (t)BuO(.) radicals generated in such a process abstract an ii atom from cyclohexane to afford cyclohexyl radicals, which in turn react with dioxygen and produce cyclohexanol and cyclohexanone presumably via a Russell-type termination reaction. The oxidation of cyclohexane by 8 can be either stoichiometric or catalytic. In the presence of excess TBHP, 8 affords more oxidized products, indicating multiple turnovers.