μ-oxo-bis[(5,10,15,20-tetrakis(pentafluorophenyl)porphyrinato)iron(III)] | 81245-20-7

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: μ-oxo-bis[(5,10,15,20-tetrakis(pentafluorophenyl)porphyrinato)iron(III)]
• 英文别名: μ-oxo-bis((5,10,15,20)tetrakispentafluorophenyl)porphinatoiron(II)；μ-oxo-(tetrakis(pentafluorophenyl)porphinato)iron(III)2；[[5,10,15,20-tetrakis(pentafluorophenyl)porphinato]iron(III)]O；μ-O(Fe-meso-tetrakis(pentafluorophenyl)porphyrin)₂；μ-O(FeTPFPP)₂；[FeTPFPP]₂O
• CAS: 81245-20-7
• 化学式: C₈₈H₁₆F₄₀Fe₂N₈O
• 分子量: 2072.78
• InChiKey: BBESRISORFQDSV-JZUWWCKTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  20.62
• 重原子数：
  139.0
• 可旋转键数：
  10.0
• 环数：
  20.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  78.39
• 氢给体数：
  0.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  μ-oxo-bis[(5,10,15,20-tetrakis(pentafluorophenyl)porphyrinato)iron(III)] 在 Pinene 作用下， 反应 0.83h， 生成 5,10,15,20-tetrakis(pentafluorophenyl)porphyrin iron(III) hydroxide 、
  参考文献：
  名称：

  Hennig, Horst; Luppa, Doritt, Advanced Synthesis and Catalysis, 1999, vol. 341, # 8, p. 757 - 767

  摘要：

  DOI：
• 作为产物：
  描述：

  (5,10,15,20-tetrakis(pentafluorophenyl)porphyrinato)iron(III) chloride 在 NaOH 作用下， 以 二氯甲烷 为溶剂， 以68%的产率得到μ-oxo-bis[(5,10,15,20-tetrakis(pentafluorophenyl)porphyrinato)iron(III)]
  参考文献：
  名称：

  Jayaraj; Gold; Toney, Inorganic Chemistry, 1986, vol. 25, # 19, p. 3516 - 3518

  摘要：

  DOI：

文献信息

• An efficient eco-sustainable oxidative desulfurization process using μ-oxo-bridged Fe(III) complex of meso-tetrakis(pentafluorophenyl)porphyrin
  作者：António Aguiar、Susana Ribeiro、André M.N. Silva、Luís Cunha-Silva、Baltazar de Castro、Ana M.G. Silva、Salete S. Balula

  DOI：10.1016/j.apcata.2014.04.002

  日期：2014.5

  The present work is the first report of using a FeIII dimeric porphyrin as an active and efficient catalyst for the oxidative desulfurization of a multicomponent oil formed by the most refractory sulfur compounds in fuels (dibenzothiophene, DBT, 1-benzothiophene, 1-BT, and 4,6-dimethyldibenzothiophene, 4,6-DMDBT), using the biphasic system model oil/extraction solvent. The binuclear μ-oxodiiron(III)

  本工作是首次使用Fe III二聚卟啉作为活性和高效催化剂对燃料（二苯并噻吩，DBT，1-苯并噻吩，1-BT，和4,6-二甲基二苯并噻吩（4,6-DMDBT），使用双相系统模型油/萃取溶剂。合成了介孔四（五氟苯基）卟啉μ-O（FeTPFPP）2的双核μ-氧二铁（III）配合物，并通过紫外/可见光谱，质谱和单晶X射线衍射进行了表征。μ-O（FeTPFPP）2在室温下，当残留量的H 2 O 2存在时，当使用乙腈和甲醇作为萃取溶剂时，H2O3表现出完全脱硫。按照1-BT> DBT> 4,6-DMDBT的顺序对每种难处理的硫化合物评估卟啉的催化效率。出人意料的是，与文献中已报道的其他催化剂相比，卟啉对1-BT的脱硫表现出显着的催化性能。此外，含有卟啉的萃取相可在连续的脱硫循环中重复使用。
• Mechanistic Studies of (Porphinato)Iron-Catalyzed Isobutane Oxidation. Comparative Studies of Three Classes of Electron-Deficient Porphyrin Catalysts
  作者：Kevin T. Moore、István T. Horváth、Michael J. Therien

  DOI：10.1021/ic000284o

  日期：2000.7.24

  We report herein a comprehensive study of (porphinato)iron [PFe]-catalyzed isobutane oxidation in which molecular oxygen is utilized as the sole oxidant; these catalytic reactions were carried out and monitored in both autoclave reactors and sapphire NMR tubes. In situ 19F and 13C NMR experiments, coupled with GC analyses and optical spectra obtained from the autoclave reactions have enabled the identification

  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（ ）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
• 19F NMR Spectra and Structures of Halogenated Porphyrins
  作者：Eva R. Birnbaum、Julia A. Hodge、Mark W. Grinstaff、William P. Schaefer、Lawrence Henling、Jay A. Labinger、John E. Bercaw、Harry B. Gray

  DOI：10.1021/ic00118a010

  日期：1995.7

  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.
• Characterization of a<i>μ</i>-oxo-bridged diiron porphyrin by ESI-LTQ-Orbitrap-MS
  作者：André M. N. Silva、António Aguiar、Salete S. Balula、Ana M. G. Silva、Maria Rangel

  DOI：10.1002/jms.3405

  日期：2014.8
• Shin, Koo; Yu, Byung-Soo; Goff, Harold M., Inorganic Chemistry, 1990, vol. 29, # 4, p. 889 - 890
  作者：Shin, Koo、Yu, Byung-Soo、Goff, Harold M.

  DOI：——

  日期：——