[Fe(((Me₂N)C=NC₂H₄)₂NMe)(OTf)₂] | 1317241-60-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: [Fe(((Me₂N)C=NC₂H₄)₂NMe)(OTf)₂]
• 英文别名: (methylbis(2-[N(2)-(1,1,3,3-tetramethylguanidino)]ethyl)amine)bis(trifluoromethylsulfonyloxy)iron(II)；2-[2-[2-[bis(dimethylamino)methylideneamino]ethyl-methylamino]ethyl]-1,1,3,3-tetramethylguanidine;iron(2+);trifluoromethanesulfonate
• CAS: 1317241-60-3
• 化学式: C₁₇H₃₅F₆FeN₇O₆S₂
• 分子量: 667.478
• InChiKey: SARFPPBEKXIUCP-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -0.02
• 重原子数：
  39
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  172
• 氢给体数：
  0
• 氢受体数：
  15

反应信息

• 作为反应物：
  描述：

  [Fe(((Me₂N)C=NC₂H₄)₂NMe)(OTf)₂] 以 乙腈 为溶剂， 生成 chloro(oxo)(methylbis(2-[N(2)-(1,1,3,3-tetramethylguanidino)]ethyl)amine)iron(IV)(1+)
  参考文献：
  名称：

  A More Reactive Trigonal-Bipyramidal High-Spin Oxoiron(IV) Complex with a cis-Labile Site

  摘要：

  The trigonal-bipyramidal high-spin (S = 2) oxoiron(IV) complex [Fe-IV(O)(TMG(2)dien)(CH3CN)](2+) (7) was synthesized and spectroscopically characterized. Substitution of the CH3CN ligand by anions, demonstrated here for X = N-3(-) and Cl-, yielded additional S = 2 oxoiron(IV) complexes of general formulation [Fe-IV(O)(TMG(2)dien)(X)](+) (7-X). The reduced steric bulk of 7 relative to the published S = 2 complex [FeIV(O)(TMG(3)tren)](2+) (2) was reflected by enhanced rates of intermolecular substrate oxidation.

  DOI：

  10.1021/ja2040909
• 作为产物：
  描述：

  methylbis(2-[N(2)-(1,1,3,3-tetramethylguanidino)]ethyl)amine 以 not given 为溶剂， 生成 [Fe(((Me₂N)C=NC₂H₄)₂NMe)(OTf)₂]
  参考文献：
  名称：

  A More Reactive Trigonal-Bipyramidal High-Spin Oxoiron(IV) Complex with a cis-Labile Site

  摘要：

  The trigonal-bipyramidal high-spin (S = 2) oxoiron(IV) complex [Fe-IV(O)(TMG(2)dien)(CH3CN)](2+) (7) was synthesized and spectroscopically characterized. Substitution of the CH3CN ligand by anions, demonstrated here for X = N-3(-) and Cl-, yielded additional S = 2 oxoiron(IV) complexes of general formulation [Fe-IV(O)(TMG(2)dien)(X)](+) (7-X). The reduced steric bulk of 7 relative to the published S = 2 complex [FeIV(O)(TMG(3)tren)](2+) (2) was reflected by enhanced rates of intermolecular substrate oxidation.

  DOI：

  10.1021/ja2040909

文献信息

• Non-heme High-Spin {FeNO}^6–8 Complexes: One Ligand Platform Can Do It All
  作者：Amy L. Speelman、Corey J. White、Bo Zhang、E. Ercan Alp、Jiyong Zhao、Michael Hu、Carsten Krebs、James Penner-Hahn、Nicolai Lehnert

  DOI：10.1021/jacs.8b06095

  日期：2018.9.12

  properties of the complexes are further analyzed (from magnetic Mössbauer). The properties of our hs-FeNO}6-8 complexes are then contrasted to corresponding, low-spin iron-nitrosyl complexes where redox transformations are generally NO centered. The hs-FeNO}8 complex can further be protonated by weak acids, and the product of this reaction is characterized. Taken together, these results provide unprecedented

  血红素和非血红素亚硝酰基铁络合物是生物学中重要的中间体。虽然有许多不同氧化态的低自旋血红素亚硝酰基铁络合物的例子，但对氧化态的高自旋 (hs) 非血红素亚硝酰基化合物知之甚少，除了形式上的亚铁 NO 加合物 (FeNO} 7 在 Enemark-Feltham 符号）。在这项研究中，我们使用 TMG3tren 配体展示了一系列完整的 hs-FeNO}6-8 配合物。从 hs-FeNO}7 复合物 [Fe(TMG3tren)(NO)]2+ 到其 FeNO}6 和 FeNO}8 类似物的氧化还原转化不会改变铁中心的配位环境，允许详细比较这些物种。在这里，我们展示了新的 MCD、NRVS、XANES/EXAFS 和 Mössbauer 数据，证明这些氧化还原转化是基于金属的，这使我们能够访问 hs-Fe(II)-NO-，Fe(III)-NO- 和 Fe(IV)-NO- 复合物。NCA 分析的振动数据直接量化了该系列中