Fe(5,10,15-tris(2.6-dichlorophenyl)corrole(3-))Cl | 431892-19-2

• 英文名称: Fe(5,10,15-tris(2.6-dichlorophenyl)corrole(3-))Cl
• 英文别名: [Fe(5,10,15-tris(2,6-dichlorophenyl)corrole)Cl]；ClFe(5,10,15-tris(2,6-dichlorophenyl)corrole)；FeCl(TCl2PC)
• CAS: 431892-19-2
• 化学式: C₃₇H₁₇Cl₇FeN₄
• 分子量: 821.587
• InChiKey: ODSFEZSPYJHSQF-UNFHWNMOSA-M

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：
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• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  Fe(5,10,15-tris(2.6-dichlorophenyl)corrole(3-))Cl 在 三乙胺 作用下， 以 乙腈 为溶剂， 生成 Fe(5,10,15-tris(2,6-dichlorophenyl)corrole)
  参考文献：
  名称：

  Reduction of Cobalt and Iron Corroles and Catalyzed Reduction of CO₂

  摘要：

  The role of cobalt and iron corroles in catalytic CO2 reduction has been studied. Chemical, electrochemical, and photochemical reductions of the stable metal corroles Ph3PCoIII(tpfc) (tpfc = 5,10,15-tris(pentafluorophenyl)corrole), ClFeIV(tpfc), and CIFeIV(tdcc) (tdcc = 5,10,15-tris(2,6-dichlorophenyl)corrole) have been carried out in acetonitrile solutions. Stepwise reduction to the [M-II(tpfc)](-) and [M-1(tpfc)](2-) states was observed in all cases. Gradual reduction with sodium amalgam permitted recording of the optical absorption spectra of the various oxidation states and showed that the M-1 state reacts with CO2. Cyclic voltammetry in Ar-saturated acetonitrile solutions permitted determination of the following half-wave potentials: for Ph3PCOIII (tpfc), 1.11 V, 0.72 V, -0.42 V (E-pc), - 1.44 V, -2.3 V (E-pc); for ClFeIV(tpfc), 0.44 V, - 1.01 V (E-pc), - 1.60 V, -2.2 V (E-pc); for ClFeIV(tdcc), 0.24 V, - 1.18 V (E-pc), - 1.78 V vs SCE with a scan rate of 0. 1 V s(-1). Cyclic voltammetry in CO2-saturated solutions indicated that the Co-1 and Fe-1 complexes react with CO2 and that the reduced Fe(tdcc) complex is the most efficient electrocatalyst for CO2 reduction, showing the largest catalytic currents among these corroles. Photochemical reduction in CO2-saturated acetonitrile solutions containing p-terphenyl (TP) as a sensitizer and triethylamine (TEA) as a reductant led to production of CO and H, These experiments also show that Fe(tdcc) is more effective than the other corroles as a CO2 reduction catalyst. The present finding that the M-1 oxidation states of the cobalt and iron corroles can react with CO2 is in contrast with the case of the respective porphyrins and phthalocyanines, which do not react with CO2 until they are reduced beyond the M-1 state.

  DOI：

  10.1021/jp013668o
• 作为产物：
  描述：

  iron(II) chloride 、 5,10,15-tris(2,6-dichlorophenyl)corrole 以 N,N-二甲基甲酰胺 为溶剂， 生成 Fe(5,10,15-tris(2.6-dichlorophenyl)corrole(3-))Cl
  参考文献：
  名称：

  β-Nitro Derivatives of Iron Corrolates

  摘要：

  Two different methods for the regioselective nitration of different meso-triarylcorroles leading to the corresponding beta-substituted nitrocorrole iron complexes have been developed. A two-step procedure affords three Fe(III) nitrosyl products-the unsubstituted corrole, the 3-nitrocorrole, and the 3,17-dinitrocorrole. In contrast, a one-pot synthetic approach drives the reaction almost exclusively to formation of the iron nitrosyl 3,17-dinitrocorrole. Electron-releasing substituents on the meso-aryl groups of the triarylcorroles induce higher yields and longer reaction times than what is observed for the synthesis of similar triarylcorroles with electron-withdrawing functionalities, and these results can be confidently attributed to the facile formation and stabilization of an intermediate iron corrole pi-cation radical. Electron-withdrawing substituents on the meso-aryl groups of triarylcorrole also seem to labilize the axial nitrosyl group which, in the case of the pentafluorophenylcorrole derivative, results in the direct formation of a disubstituted iron mu-oxo dimer complex. The influence of meso-aryl substituents on the progress and products of the nitration reaction was investigated. In addition, to elucidate the most important factors which influence the redox reactivity of these different iron nitrosyl complexes, selected compounds were examined by cyclic voltammetry and thin-layer UV-visible or FTIR spectroelectrochemistry in CH2Cl2.

  DOI：

  10.1021/ic3002459
• 作为试剂：
  描述：

  2-甲基萘 在 Fe(5,10,15-tris(2.6-dichlorophenyl)corrole(3-))Cl 、 双氧水 、 1-butyl-3-methylimidazolium Tetrafluoroborate 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 5.0h， 以22%的产率得到2-萘甲醇
  参考文献：
  名称：

  离子液体中5,10,15-三芳基伴生铁（IV）氯化物催化H 2 O 2高效催化多环芳烃氧化

  摘要：

  已经开发了一种简单有效的氧化系统，用于在混合反应介质中使用咪唑鎓离子液体和有机溶剂，通过5,10,15-三芳基吡咯烷铁（IV）氯化物催化H 2 O 2氧化多环芳烃。研究了不同有机溶剂以及离子液体阴离子对氧化反应的配位作用。

  DOI：

  10.1016/j.catcom.2012.09.011

文献信息

• Iron(III) and Iron(IV) Corroles:  Synthesis, Spectroscopy, Structures, and No Indications for Corrole Radicals
  作者：Liliya Simkhovich、Israel Goldberg、Zeev Gross

  DOI：10.1021/ic020118b

  日期：2002.10.1

  reaction conditions allows the isolation of several distinctively different iron complexes of tris(pentafluorophenyl)- and tris(2,6-dichlorophenyl)corrole. As long as coordinating ligands are present, the iron(III) complexes are stable in solution. Otherwise they are aerobically oxidized to either mononuclear chloroiron(IV) or dinuclear (mu-oxo)iron(IV) complexes, in acidic and basic solutions, respectively

  对反应条件的精细控制可分离出三（五氟苯基）-和三（2,6-二氯苯基）苯甲酸酯的几种截然不同的铁配合物。只要存在配位配体，铁（III）配合物在溶液中就稳定。否则，它们分别在酸性和碱性溶液中被有氧氧化为单核氯铁（IV）或双核（μ-氧代）铁（IV）配合物（后者仅适用于三（五氟苯基）甲氧基）。当用NaNO（2）处理时，单核氯亚铁（IV）杂化物可有效地转化为抗磁性的亚硝基铁络合物。通过光谱学方法和X射线晶体学相结合，充分表征了中低旋铁（III），亚硝基铁和氯铁（IV）的特征。
• Halogeno-Coordinated Iron Corroles
  作者：Liliya Simkhovich、Zeev Gross

  DOI：10.1021/ic0491332

  日期：2004.10.1

  The first full assignment of H-1 NMR chemical shifts for iron corroles and the first synthesis of a series of (halogeno)iron corroles reveal very large effects of the axial ligands on the corresponding spectra, which apparently reflect differences in the relative importance of metal-to-corrole and corrole-to-metal pi-donation. These findings pave the way for a thorough analysis of the electronic structures of such complexes.