FeIII(N-methylpropanoate-N,N-bis-(2-pyridylmethyl)amine)Cl3 | 876276-07-2

• 英文名称: FeIII(N-methylpropanoate-N,N-bis-(2-pyridylmethyl)amine)Cl3
• 英文别名: Fe^III(MPBMPA)Cl₃；Fe^III(N-methylpropanoate-N,N-bis-(2-pyridylmethyl)amine)Cl₃；Fe(MPBMPA)Cl3；trichloro[N-methylpropanoate-N,N-bis(2-pyridylmethyl)amine]iron(III)
• CAS: 876276-07-2
• 化学式: C₁₆H₁₉Cl₃FeN₃O₂
• 分子量: 447.552
• InChiKey: UWJLWLXFUAXFKK-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  iron(III) chloride 、 N-(methyl propanoate)-N,N-bis-(2-pyridylmethyl)amine 以 甲醇 为溶剂， 反应 4.0h， 以70%的产率得到FeIII(N-methylpropanoate-N,N-bis-(2-pyridylmethyl)amine)Cl3
  参考文献：
  名称：

  Transition metal complexes bearing flexible N3 or N3O donor ligands: Reactivity toward superoxide radical anion and hydrogen peroxide

  摘要：

  Mononuclear complexes of N-methylpropanoate-N,N-bis-(2-pyridylmethyl)amine (MPBMPA) and N-propanoate-N,N-bis-(2-pyridylmethyl)amine (HPBMPA) with first row transition metals from Mn to Cu were synthesized and characterized by spectroscopy (infrared, UV-visible), electrochemistry (cyclic voltammetry), microanalysis and in four cases X-ray crystallography. Structure of the complexes revealed high flexibility of these ligands that can adopt facial (Fe) and meridional (Cu) geometry. Activity in the degradation of reactive oxygen species (superoxide radical anion: superoxide dismutase (SOD)-like activity and hydrogen peroxide: catalase-like activity) was tested throughout the complex series in aqueous solutions. In connection with the catalytic dismutation of H2O2, bleaching tests with morin were also conducted in water. Comparison of the two ligands helped in elucidating the possible role of the carboxylate moiety in the different catalytic reactions. Although no general trends could be revealed between reactivity and constitution of the first coordination sphere, plausible explanations for differences are discussed individually for SOD like, catalase-like and bleaching activity. (C) 2012 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.jinorgbio.2012.08.012

文献信息

• Synthesis and characterization of three mononuclear Fe(III) complexes containing bipodal and tripodal ligands: X-ray molecular structure of the dichloro[N-propanamide-N,N-bis-(2-pyridylmethyl)amine]iron(III) perchlorate
  作者：Nakédia M.F. Carvalho、Adolfo Horn、Adailton J. Bortoluzzi、Valderes Drago、O.A.C. Antunes

  DOI：10.1016/j.ica.2005.07.010

  日期：2006.1

  In this work, we present the synthesis and characterization of three mononuclear iron(III) complexes: dichloro[N-propanamide-N,N-bis-(2-pyridylmethyl)amine]iron(III) perchlorate (1), trichloro[N-methylpropanoate-N,N-bis-(2-pyridylmethyl)amine]iron(III) (2) and trichloro[bis-(2-pyridylmethyl)amine]iron(III) (3). The complexes were characterized by cyclic voltammetry, conductivimetry, elemental analyses

  在这项工作中，我们介绍了三种单核铁（III）配合物的合成和表征：二氯[ N-丙酰胺-N，N-双-（2-吡啶基甲基）胺]高氯酸铁（III）（1），三氯[ N -methylpropanoate- ñ，ñ -双- （2-吡啶基甲基）胺]铁（III）（2）和三氯[双- （2-吡啶基甲基）胺]铁（III）（3）。通过循环伏安法，电导法，元素分析以及电子，红外和穆斯堡尔光谱法对复合物进行表征。综合大楼1还通过X射线结构分析表征了该结构，其显示了与一个酰胺，一个叔胺，两个吡啶基和两个氯离子配位的铁中心。对于1，X射线分子结构和红外光谱证实了氧原子对酰胺基的配位，而2的红外光谱表明配体中存在的酯基未配位，从而导致N 3 Cl 3。供体组，类似于3中存在的供体组。但是，在3中有仲胺，而在2中存在叔胺。这些结构差异导致铁中心的路易斯酸度发生明显变化，这可以通过分析配合物的氧化还原电位以及Mössbauer参
• Electrochemical behaviour of mononuclear Fe(iii) complexes as models for oxygenases: reactivity of Fe(ii) species electrochemically formed in situ toward dioxygen
  作者：Nak?dia M. F. Carvalho、O. A. C. Antunes、Adolfo Horn, Jr.

  DOI：10.1039/b616377g

  日期：——

  In this paper, we report the electrochemical study of a family of mononuclear FeIII complexes [Fe(BMPA)Cl3] 1, [Fe(MPBMPA)Cl3] 2, [Fe(PBMPA)Cl2] 3 and [Fe(PABMPA)Cl2](ClO4) 4, where the ligand BMPA is bis-(2-pyridylmethyl)amine, and MPBMPA, PBMPA and PABMPA are the N-methylpropanoate, N-propanoate and N-propanamide BMPA-derivatives, respectively. It was possible to verify the influence of the different ligands on the redox properties of the complexes and from this to classify the complexes according to their Lewis acidity through the FeIII/FeII redox process, resulting in the following decreasing order in CH3CN solution: 4 > 2 > 1 > 3. The effect of the solvents CH3CN and DMSO on their electrochemical properties was also determined. Furthermore, we investigated the reactivity of the electrochemically-generated FeII complexes toward dioxygen and of the FeIII complexes toward superoxide through cyclic voltammetry. All the complexes reacted with dioxygen and superoxide in DMSO solution. Redox processes attributed to oxygenated species were observed in a more cathodic potential than those of the original compounds. According to the data, the new species FeII–O2 converts itself to FeIII–O2−, which presents a new redox wave attributed to the process FeIII–O2− + e− → FeII–O2−. The same species FeIII–O2− is formed from the reaction of the FeIII form of the complexes and KO2.

  在本文中，我们报告了一系列单核 FeIII 配合物 [Fe(BMPA)Cl3] 1、[Fe(MPBMPA)Cl3] 2、[Fe(PBMPA)Cl2] 3 和 [Fe(PABMPA)Cl2] 的电化学研究(ClO4)4，其中配体BMPA是双-(2-吡啶基甲基)胺，MPBMPA、PBMPA和PABMPA分别是N-甲基丙酸酯、N-丙酸酯和N-丙酰胺BMPA衍生物。可以验证不同配体对配合物氧化还原性质的影响，并由此通过 FeIII/FeII 氧化还原过程根据其路易斯酸性对配合物进行分类，从而在 CH3CN 溶液中产生以下递减顺序： 4 > 2 > 1 > 3. 还确定了溶剂 CH3CN 和 DMSO 对其电化学性能的影响。此外，我们通过循环伏安法研究了电化学生成的 FeII 配合物对双氧的反应性以及 FeIII 配合物对超氧化物的反应性。所有配合物均在DMSO溶液中与分子氧和超氧化物反应。在比原始化合物更具阴极电位的情况下观察到归因于含氧物质的氧化还原过程。根据数据，新物质 FeII–O2 将自身转化为 FeIII–O2−，从而呈现出归因于 FeIII–O2− + e− 过程的新氧化还原波 → FeII–O2−。复合物的 FeIII 形式与 KO2 反应形成相同种类的 FeIII–O2−。