dichloro(4,10-dimethyl-1,4,7,10-tetrazabicyclo[5.5.2]tetradecane)iron(II) | 213007-63-7

• 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: dichloro(4,10-dimethyl-1,4,7,10-tetrazabicyclo[5.5.2]tetradecane)iron(II)
• 英文别名: dichloroiron;4,10-dimethyl-1,4,7,10-tetrazabicyclo[5.5.2]tetradecane
• CAS: 213007-63-7
• 化学式: C₁₂H₂₆Cl₂FeN₄
• 分子量: 353.118
• InChiKey: IQIAEPSSJCSODK-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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

• 作为反应物：
  描述：

  ammonium hexafluorophosphate 、 dichloro(4,10-dimethyl-1,4,7,10-tetrazabicyclo[5.5.2]tetradecane)iron(II) 在 Br₂ 作用下， 以 甲醇 为溶剂， 生成 dichloro(4,10-dimethyl-1,4,7,10-tetrazabicyclo[5.5.2]tetradecane)iron(III) hexafluorophosphate
  参考文献：
  名称：

  拓扑约束的两个交叉桥连的四氮杂大环锰（III）和铁（III）配合物。

  摘要：

  4,11-二甲基-1,4,8,11-四氮杂双环[6.6.2]十六烷（1）和4,10-二甲基-1,4,7,10-四氮杂双环[5.5）的Mn3 +和Fe3 +配合物族.2]十四烷（2）是通过二价锰和铁类似物的化学氧化制备的。配体是分别衍生自cylam和cycln的乙烯交联的四氮杂大环。描述了这些配合物的合成和表征，包括X射线晶体结构的测定。结构证据表明，四齿配体在金属离子上施加扭曲的八面体几何形状，其中两个顺式位点被不稳定的配体占据。磁测量结果表明，该复合物具有典型的磁矩高自旋。循环伏安法显示，铁（III）配合物的Fe3 + / Fe2 +对可逆的氧化还原过程，锰（Ⅲ）配合物的Mn3 + / Mn2 +和Mn4 + / Mn3 +对。深入研究了1的锰化学。1的二氯锰（III）阳离子在不稳定的单齿位点进行容易的配体取代反应，例如用叠氮化物代替氯化物配体。在碱性溶液中空气氧化Mn（1）2+的二氯配

  DOI：

  10.1021/ic9912225
• 作为产物：
  描述：

  FeCl2(py)2 、 4,10-dimethyl-1,4,7,10-tetraazabicyclo[5.5.2]tetraadecane 以 乙腈 为溶剂， 生成 dichloro(4,10-dimethyl-1,4,7,10-tetrazabicyclo[5.5.2]tetradecane)iron(II)
  参考文献：
  名称：

  New Iron(II) and Manganese(II) Complexes of Two Ultra-Rigid, Cross-Bridged Tetraazamacrocycles for Catalysis and Biomimicry

  摘要：

  The high-spin dichloro Mn2+ and Fe2+ complexes of 4,11 dimethyl-1,4,8,11-tetraazabicyclo[6.6.2]-hexadecane (1) and 4.10-dimethyl-1,4,7,10-tetraazabicyclo[5.5.2]tetradecane (2) provide durable new compounds of these elements for important fundamental studies and applications. The compounds are especially noteable for their exceptional kinetic stabilities and redox activity. The X-ray crystal structures of all four complexes demonstrate that the ligands enforce a distorted octahedral geometry on the metals with two cis sites occupied by labile chloride ligands. Magnetic measurements reveal that all are high spin with typical magnetic moments. Cyclic voltammetry of the complexes shows reversible redox processes at +0.110 and +0.038 V (versus SHE) for the Fe3+/Fe2+ couples of Fe(1)Cl-2 and Fe(2)Cl-2, respectively, while the Mn3+/Mn2+ and Mn4+/Mn3+ couples were observed at +0.585 and +1.343 V, and +0.466 and +1.232 V for the complexes Mn(1)Cl-2 and Mn(2)Cl-2, respectively. Mn2+(1) was found to react with H2O2 and other oxidizing agents to produce the Mn4+(1) complex. The catalytic efficacy of Mn4+(1) in aqueous solution has been assessed in the epoxidation reaction of carbamazepine and hydrogen abstraction reaction with 1,4-cyclohexadiene The complex has been found to be a selective catalyst, exhibiting moderate catalytic activity in oxygen transfer, but significantly more effective catalytic activity in hydrogen abstraction reactions.

  DOI：

  10.1021/ja990366f