[[tris(2-(pyridylmethyl)amine]Fe(H2O))(OOH)](2+) | 672329-62-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并吡啶类
• 英文名称: [[tris(2-(pyridylmethyl)amine]Fe(H2O))(OOH)](2+)
• 英文别名: [(TPA)Fe(H2O)(OOH)](2+)
• CAS: 672329-62-3；473235-54-0；472987-29-4
• 化学式: C₁₈H₂₁FeN₄O₃
• 分子量: 397.237
• InChiKey: RUZQNQPLADLCCV-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
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• 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：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  (tris(2-pyridylmethyl)amine)bis(acetonitrile)iron(II) perchlorate 、 双氧水 以 二氯甲烷 、 乙腈 为溶剂， 生成 [Fe(tris-(2-pyridylmethyl)amine)(OOH)(acetonitrile)](2+) 、 [[tris(2-(pyridylmethyl)amine]Fe(H2O))(OOH)](2+)
  参考文献：
  名称：

  The nature of active species in catalytic systems based on non-heme iron complexes, hydrogen peroxide, and acetic acid for selective olefin epoxidation

  摘要：

  The catalytic systems [(BPMEN)Fe-II(CH3CN)(2)](ClO4)(2)/H2O2/CH3OOH and [(TPA)Fe-II(CH3CN)(2)](ClO4)(2)/H2O2/CH3OOH, where BPMEN = N,N'-dimethyl-N,N'-bis(2-pyridylmethyl)-1,2-diaminoethane and TPA = tris(2-pyridylmethyl)amine, provide selective olefin epoxidation. Proton NMR studies showed that the mononuclear iron(IV) oxo complexes [(L)Fe-IV=O](2+), with L = BPMEN or TPA, are present in the cited catalytic systems. These intermediates are the decomposition products of the acylperoxo complexes [(L)Fe-III-O3CCH3](2+). Such a complex was observed by the H-2 NMR technique at low temperatures. The [(L)Fe-IV=O](2+) and [(L)Fe-V=O](3+) oxo complexes are possible active species in the studied catalytic systems.

  DOI：

  10.1134/s0023158408030099