| 911310-92-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• CAS: 911310-92-4
• 化学式: C₁₃H₂₆MnN₅O₃
• 分子量: 355.319
• InChiKey: GCCFEJQHMNSOOF-LPFKQZCFSA-M

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：

  甲醇 、 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  Biomimetic Oxidation of 3,5-Di-tert-butylcatechol by Dioxygen via Mn-Enhanced Base Catalysis

  摘要：

  The 6-coordinate dioximatomanganese(II) complex [Mn(HL)(CH3OH)](+) (2, where H2L is [HON=C(CH3) C(CH3) = NCH2CH2] 2NH), formed by instant solvolysis of [Mn-2(HL)(2)](BPh4)(2) (1) in methanol, accelerates the triethylamine (TEA)-catalyzed oxidation of 3,5-di-tert-butylcatechol (H(2)dtbc) by O-2 to the corresponding o-benzoquinone. Significantly, 2 alone has no catalytic effect. The observed rate increase can be explained by the interaction of 2 with the hydroperoxo intermediate HdtbcO(2)-formed from Hdtbc-and O-2 in the TEA-catalyzed oxidation. The kinetics of the TEA-catalyzed and Mn-enhanced reaction has been studied by gas-volumetric monitoring of the amount of O2 consumed. The initial rate of O2 uptake (V in) shows a first-order dependence on the concentration of 2 and O2 and saturation kinetics with respect to both H2dtbc and TEA. The observed kinetic behavior is consistent with parallel TEA-catalyzed and Mn-enhanced oxidation paths. The 3,5-di -tert-butylsemiquinone anion radical is an intermediate detectable by electron spin resonance (ESR) spectroscopy. The dimeric catalyst precursor has been characterized by X-ray diffraction and electrospray ionization mass spectrometry and the monomeric catalyst by ESR spectroscopy.

  DOI：

  10.1021/ic060618v

文献信息

• A functional phenoxazinone synthase model based on dioximatomanganese(II)
  作者：Imola Cs. Szigyártó、Tatiana M. Simándi、László I. Simándi、László Korecz、Nóra Nagy

  DOI：10.1016/j.molcata.2006.02.020

  日期：2006.5

  ambient conditions via an o-benzoquinone monoimine (bqmi) intermediate, which, however, cannot be directly detected due to its high reactivity. If H3ap is replaced by 2-anilino-4,6-di-tert-butylphenol (3), a structural analog where the required positions are blocked, oxidation occurs without dimerization, affording the corresponding N-substituted o-quinone monoimine. Free radical intermediates were detected

  二聚二恶英锰（II）配合物[Mn 2（HL）2 ]（BPh 4）2（1）（其中H 2 L为[HONC（CH 3）C（CH 3）NCH 2 CH 2 ] 2 NH）离解为溶于MeOH后，单体[Mn（HL）] +（2）。复杂2是功能性phenoxazinone合酶催化模型2-氨基苯酚的基础辅助氧化二聚（H 3 AP）至2-氨基-3- ħ经由通过在环境条件下双氧-phenoxazine -3-酮（APX）ø-苯醌单亚胺（bqmi）中间体，但是由于其高反应性而无法直接检测。若H 3 AP是由2-苯胺基-4,6-二取代叔丁基苯酚（3），结构类似物，其中所需要的位置被堵塞，氧化发生在没有二聚化，得到相应的Ñ取代ö -quinone单亚胺。在两个反应中均通过ESR光谱检测到了自由基中间体。用分光光度法研究了H 3 ap催化氧化动力学，并建立了相应的速率方程。这与涉及形成催化剂-H 2 apO 2的机理是一致的。