dichloro(methylbis(2-[N(2)-(1,1,3,3-tetramethylguanidino)]ethyl)amine)iron(II) | 1317241-61-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: dichloro(methylbis(2-[N(2)-(1,1,3,3-tetramethylguanidino)]ethyl)amine)iron(II)
• 英文别名: 2-[2-[2-[bis(dimethylamino)methylideneamino]ethyl-methylamino]ethyl]-1,1,3,3-tetramethylguanidine;iron(2+);dichloride
• CAS: 1317241-61-4
• 化学式: C₁₅H₃₅Cl₂FeN₇
• 分子量: 440.243
• InChiKey: VKTPWBGOGXTCJB-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -6.12
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  40.9
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  dichloro(methylbis(2-[N(2)-(1,1,3,3-tetramethylguanidino)]ethyl)amine)iron(II) 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 、 iron(II) chloride 以 not given 为溶剂， 生成 dichloro(methylbis(2-[N(2)-(1,1,3,3-tetramethylguanidino)]ethyl)amine)iron(II)
  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