Fe(bis-(3,5-di-tert-butyl-2-hydroxy-benzyl)-amino-acetic acid-3H) | 1296853-62-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: Fe(bis-(3,5-di-tert-butyl-2-hydroxy-benzyl)-amino-acetic acid-3H)
• 英文别名: FeL(Gly)
• CAS: 1296853-62-7
• 化学式: C₃₂H₄₆NO₄*Fe
• 分子量: 564.569
• InChiKey: MSNGLOKUKPHAOP-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  4.77
• 重原子数：
  38.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  89.49
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  Iron(III) nitrate nonahydrate 、 N,N-bis(3,5-di-tert-butyl-2-hydroxybenzyl)aminoacetic acid 在 triethylamine 作用下， 以 甲醇 为溶剂， 以63.7%的产率得到Fe(bis-(3,5-di-tert-butyl-2-hydroxy-benzyl)-amino-acetic acid-3H)
  参考文献：
  名称：

  Synthesis and characterization of an iron(III) complex of glycine derivative of bis(phenol)amine ligand in relevance to catechol dioxygenase active site

  摘要：

  A glycine derivative of bis(phenol)amine ligand (HL(Gly)) was synthesized and characterized by (1)H NMR and IR spectroscopies. The iron(III) complex (L(Gly)Fe) of this ligand was synthesized and characterized by IR, UV-Vis, X-ray and magnetic susceptibility studies. X-ray analysis reveals that in L(Gly)Fe the iron(III) center has a distorted trigonal bipyramidal coordination sphere and is surrounded by an amine nitrogen, a carboxylate and two phenolate oxygen atoms. The mentioned carboxylate group acts as mu-bridging ligand for iron centers of neighbor complexes. The variable-temperature magnetic susceptibility indicates that L(Gly)Fe is the paramagnetic high spin iron(III) complex. It has been shown that electrochemical oxidation of this complex is ligand-centered due to the oxidation of phenolate to the phenoxyl radicals. The L(Gly)Fe complex also undergoes an electrochemical metal-centered reduction of ferric to ferrous ion. The oxygenation of 3,5-di-tert-butyl-catechol, with L(Gly)Fe in the presence of dioxygen was investigated. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2011.01.036