(octaethylporphyrinato)Fe(III)OC6H5 | 52676-83-2

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: (octaethylporphyrinato)Fe(III)OC6H5
• 英文别名: [Fe(2,3,7,8,12,13,17,18-octaethyl-21H,23H-porphyrinato)(phenolato)]
• CAS: 52676-83-2
• 化学式: C₄₂H₄₉FeN₄O
• 分子量: 681.724
• InChiKey: FTXJJLUJDGIABP-YAJYDHHFSA-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：

  (octaethylporphinato)iron(III) methoxide 在 苯酚 作用下， 以 二氯甲烷 为溶剂， 生成 (octaethylporphyrinato)Fe(III)OC6H5
  参考文献：
  名称：

  Uno, Tadayuki; Hatano, Keiichiro; Nishimura, Yoshifumi, Inorganic Chemistry, 1990, vol. 29, # 15, p. 2803 - 2807

  摘要：

  DOI：

文献信息

• Iron(II, III)-chlorin and -isobacteriochlorin complexes. Models of the heme prosthetic groups in nitrite and sulfite reductases: means of formation and spectroscopic and redox properties
  作者：Alan M. Stolzenberg、Steven H. Strauss、R. H. Holm

  DOI：10.1021/ja00406a018

  日期：1981.8
• Arasasingham, Ramesh D.; Balch, Alan L.; Hart, Rebecca L., Journal of the American Chemical Society, 1990, vol. 112, # 21, p. 7566 - 7571
  作者：Arasasingham, Ramesh D.、Balch, Alan L.、Hart, Rebecca L.、Latos-Grazyński, Lechosław

  DOI：——

  日期：——
• Structures and properties of octaethylporphinato(phenolate)iron(III) complexes with NH⋯O hydrogen bonds: modulation of Fe–O bond character by the hydrogen bond
  作者：Daisuke Kanamori、Yusuke Yamada、Akira Onoda、Taka-aki Okamura、Seiji Adachi、Hitoshi Yamamoto、Norikazu Ueyama

  DOI：10.1016/j.ica.2004.09.014

  日期：2005.1

  Iron(III) porphinate complexes of phenolate that have NH...O hydrogen bonds on the coordinating oxygen, [Fe-III(OEP)O-2,6-(RCONH)(2)C6H3}] (R = CF3 (1), CH3 (3)) and [Fe-III(OEP)(O-2-RCONHC6H4)] (R = CF3 (2), CH3 (4)) (OEP = 2,3,7,8,12,13,17,18-octaethyl-21 H, 23H-porphinato), were synthesized and characterized as models of heme catalase. The presence of NH...O hydrogen bonds was established by their crystal structures and IR shifts of the amide NH band. The crystal structure of 1 shows an extremely elongated Fe-O bond, 1.926(3) Angstrom, compared to 1.887(2) Angstrom in 2 or 1.848(4) Angstrom in [Fe-III(OEP)(OPh)]. The NH...O hydrogen bond decreases an electron donation from oxygen to iron, resulting in a long Fe-O bond and a positive redox potential. (C) 2004 Elsevier B.V. All rights reserved.