Fe(1,4,7,10-tetraazabicyclo[5.5.2]tetradecane)Cl2 | 561303-74-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: Fe(1,4,7,10-tetraazabicyclo[5.5.2]tetradecane)Cl2
• 英文别名: dichloroiron;1,4,7,10-tetrazabicyclo[5.5.2]tetradecane
• CAS: 561303-74-0
• 化学式: C₁₀H₂₂Cl₂FeN₄
• 分子量: 325.064
• InChiKey: QDJXAMXUZNVQAQ-UHFFFAOYSA-L

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：

  水 、 1,4,7,10-tetraazabicyclo[5.5.2]tetradecane 、 iron(II) chloride 以 N,N-二甲基甲酰胺 为溶剂， 生成 Fe(1,4,7,10-tetraazabicyclo[5.5.2]tetradecane)Cl2 、 [Cl(1,4,7,10-tetraazabicyclo[5.5.2]tetradecane)Fe(μ-O)Fe(1,4,7,10-tetraazabicyclo[5.5.2]tetradecane)Cl]Cl2*2H2O
  参考文献：
  名称：

  Synthesis and X-ray crystal structures of iron(II) and manganese(II) complexes of unsubstituted and benzyl substituted cross-bridged tetraazamacrocycles

  摘要：

  The Mn2+ and Fe2+ complexes of the cross-bridged tetraazamacrocyclic ligands, 4,11-dibenzyl-1,4,8,11-tetraazabicyclo[6.6.2]hexadecane (1), 4,10-dibenzyl-1,4,7,10-tetraazabicyclo[5.5.2]tetradecane (2), 1,4,8,11-tetraazabicyclo[6.6.2]hexadecane (3), and 1,4,7,10-tetraazabicyclo[5.5.2]tetradecane (4) provide new compounds of these elements for fundamental studies and applications. These unsubstituted and benzyl substituted derivatives were prepared for comparison of their structures and properties with the known catalytically active dimethyl cross-bridged ligand complexes, which are especially notable for their exceptional kinetic stabilities and redox activity. The X-ray crystal structures of five complexes demonstrate that the ligands enforce a distorted octahedral geometry on the metals with two cis sites occupied by labile ligands. The Fe2+ complexes of the unsubstitued ligands form mu-oxo dimers upon exposure to air, which have also been structurally characterized. Cyclic voltammetry of the monomeric complexes shows reversible redox processes for the M3+/M2+ couples, which are sensitive to solvent, ring size, and ring substitution. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(02)01427-5