| 676440-87-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 676440-87-2
• 化学式: C₅₂H₅₀FeN₄O₄
• 分子量: 850.84
• InChiKey: WDCLEWDFBQQLKJ-UHFFFAOYSA-L

反应信息

• 作为反应物：
  描述：

  、 氧气 以 甲苯 为溶剂， 以70%的产率得到
  参考文献：
  名称：

  Synthesis and Characterization of Carboxylate-Rich Complexes Having the {Fe₂(μ-OH)₂(μ-O₂CR)}³⁺ and {Fe₂(μ-O)(μ-O₂CR)}³⁺ Cores of O₂-Dependent Diiron Enzymes

  摘要：

  The {Fe2(mu-OH)2(mu-O2CR)}3+ and {Fe2(mu-O)(mu-O2CR)}3+ cores of the carboxylate-bridged diiron(III) centers in the enzyme active sites were reproduced by small molecule model complexes that were prepared through direct oxygenation of the mononuclear iron(II) complexes. Upon oxygenation of [Fe(O2CArTol)2(Hdmpz)2], where -O2CArTol is 2,6-di(p-tolyl)benzoate and Hdmpz is 3,5-dimethylpyrazole, [Fe2(mu-OH)2(mu-O2CArTol)(O2CArTol)3(OH2)(Hdmpz)2] was generated and characterized to share close physical properties with sMMOHox, including delta = 0.45 (2) mm/s, DeltaEQ = 1.21 (2) mm/s, and J = -7.2 (2) cm-1. The compound [Fe2(mu-O)(mu-O2CAr4-FPh)(O2CAr4-FPh)3(Hdmpz)3], where -O2CAr4-FPh is 2,6-di(4-fluorophenyl)benzoate, with delta = 0.51 (2) mm/s, DeltaEQ = 1.26 (2) mm/s, and J = -117.4 (1) cm-1, was isolated as the oxygenation product of [Fe(O2CAr4-FPh)2(Hdmpz)2].

  DOI：

  10.1021/ja031603o
• 作为产物：
  描述：

  3,5-二甲基吡唑 、 [bis(μ-2,6-di(p-tolyl)benzoate)bis(2,6-di(p-tolyl)benzoate)bis(tetrahydrofuran)diiron(II)] 以 not given 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and Characterization of Carboxylate-Rich Complexes Having the {Fe₂(μ-OH)₂(μ-O₂CR)}³⁺ and {Fe₂(μ-O)(μ-O₂CR)}³⁺ Cores of O₂-Dependent Diiron Enzymes

  摘要：

  The {Fe2(mu-OH)2(mu-O2CR)}3+ and {Fe2(mu-O)(mu-O2CR)}3+ cores of the carboxylate-bridged diiron(III) centers in the enzyme active sites were reproduced by small molecule model complexes that were prepared through direct oxygenation of the mononuclear iron(II) complexes. Upon oxygenation of [Fe(O2CArTol)2(Hdmpz)2], where -O2CArTol is 2,6-di(p-tolyl)benzoate and Hdmpz is 3,5-dimethylpyrazole, [Fe2(mu-OH)2(mu-O2CArTol)(O2CArTol)3(OH2)(Hdmpz)2] was generated and characterized to share close physical properties with sMMOHox, including delta = 0.45 (2) mm/s, DeltaEQ = 1.21 (2) mm/s, and J = -7.2 (2) cm-1. The compound [Fe2(mu-O)(mu-O2CAr4-FPh)(O2CAr4-FPh)3(Hdmpz)3], where -O2CAr4-FPh is 2,6-di(4-fluorophenyl)benzoate, with delta = 0.51 (2) mm/s, DeltaEQ = 1.26 (2) mm/s, and J = -117.4 (1) cm-1, was isolated as the oxygenation product of [Fe(O2CAr4-FPh)2(Hdmpz)2].

  DOI：

  10.1021/ja031603o