(2,3,7,8,12,13,17,18-octa-β-bromo-5,10,15,20-tetrakis(pentafluorophenyl)porphyrinato)iron(II)bis(pyridine) | 167867-86-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: (2,3,7,8,12,13,17,18-octa-β-bromo-5,10,15,20-tetrakis(pentafluorophenyl)porphyrinato)iron(II)bis(pyridine)
• 英文别名: [2,3,7,8,12,13,17,18-octabromo[5,10,15,20-tetrakis(pentafluorophenyl)porphinato]]iron(II)-(pyridine)2
• CAS: 167867-86-9
• 化学式: C₅₄H₁₀Br₈F₂₀FeN₆
• 分子量: 1817.76
• InChiKey: VGUMOIUGYKWVHZ-ABDSTYFTSA-N

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

• 作为反应物：
  描述：

  3-氟吡啶 、 (2,3,7,8,12,13,17,18-octa-β-bromo-5,10,15,20-tetrakis(pentafluorophenyl)porphyrinato)iron(II)bis(pyridine) 以 neat (no solvent) 为溶剂， 以95%的产率得到[2,3,7,8,12,13,17,18-octabromo[5,10,15,20-tetrakis(pentafluorophenyl)porphinato]]iron(II)-(3-fluoropyridine)2
  参考文献：
  名称：

  （卟啉）铁催化异丁烷氧化的机理研究。三类缺电子卟啉催化剂的比较研究。

  摘要：

  我们在此报告了对（卟啉）铁[PFe]催化的异丁烷氧化的全面研究，其中分子氧被用作唯一的氧化剂。这些催化反应在高压釜反应器和蓝宝石NMR管中进行并监测。原位19F和13C NMR实验，再加上气相色谱分析和从高压釜反应获得的光谱，已经能够鉴定PFe催化的异丁烷氧化过程中存在的主要卟啉类。基于5,10,15,20-四（五氟苯基）卟啉[（C6F5）4PH2]，2,3,7,8,12,13,17,18-octabromo-5,10,15的缺电子PFe催化剂研究了20，四（五氟苯基）卟啉[Br8（C6F5）4PH2]和5,10,15,20-四（七氟丙基）卟啉[（C3F7）4PH2]大环。烃氧化产物的性质和分布表明，自氧化反应途径支配了反应动力学，这与自由基链过程一致。对于每个检查的催化体系，显示在80摄氏度的中等O2压力下PFeII种类不稳定。在每种情况下，在观察到任何烃类氧化产物之前，都要先将PFeI

  DOI：

  10.1021/ic000284o
• 作为产物：
  描述：

  吡啶 、 2,3,7,8,12,13,17,18-octabromo-5,10,15,20-tetrakis(pentafluorophenyl)porphyrinato-iron(III) chloride 以 not given 为溶剂， 生成 (2,3,7,8,12,13,17,18-octa-β-bromo-5,10,15,20-tetrakis(pentafluorophenyl)porphyrinato)iron(II)bis(pyridine)
  参考文献：
  名称：

  19F NMR Spectra and Structures of Halogenated Porphyrins

  摘要：

  Fluorine-19 NMR spectra of a series of halogenated porphyrins have been used to create a spectral library of different types of fluorine splitting patterns for tetrakis(pentafluorophenyl) porphyrins (TFPP) complexed with diamagnetic and paramagnetic metal ions. The paramagnetic shift, line broadening, and fine structure of the resonances from the peripheral pentafluorophenyl rings are dependent on the symmetry and core environment of the porphyrin macrocycles. In combination with crystal structure data, F-19 NMR helps define the behavior of halogenated porphyrins in solution. Six new crystal structures for TFPP and octahalo-TFPP derivatives are reported: H2TFPP in rhombohedral space group R (3) over bar, a = 20.327(4) Angstrom, c = 24.368(5) Angstrom, V = 8720(3) Angstrom(3), Z = 9; ZnTFPP in monoclinic space group P2(1)/c, a = 12.653(4) Angstrom, b = 11.883(5) Angstrom, c = 15.261(2) Angstrom, beta = 103.87(2)degrees, V = 2227.6(13) Angstrom(3), Z = 2; CuTFPP in rhombohedral space group R (3) over bar, a = 20.358(5), c = 24.347(6) Angstrom, V = 8739(4) Angstrom(3), Z = 9; H2TFPPCl8 in triclinic space group P (1) over bar, a = 11.066(1) Angstrom, b = 14.641(3) Angstrom, c = 14.678(2) Angstrom, alpha = 88.97(1), beta = 76.05(1)degrees, gamma = 71.29(1)degrees, V = 2181.4(6) Angstrom(3), Z = 2; ZnTFPPCl8 in tetragonal space group P (4) over bar 2(1)c, a = 19.502(20), c = 10.916(8) Angstrom, V = 4152(6) Angstrom(3), Z = 2; H2TFPPBr8 in monoclinic space group C2, a = 27.634(6) Angstrom, b = 6.926(2) Angstrom, c = 14.844(3) Angstrom, beta = 109.64(2)degrees, V = 2675.8(11) Angstrom(3), Z = 2.

  DOI：

  10.1021/ic00118a010