[Fe(6-(((dipyridin-2-ylmethyl)((6-(neopentylamino)pyridin-2-yl)methyl)amino)methyl)-N-neopentylpyridin-2-ylamine)(OH)]triflate | 1192188-30-9

• 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(6-(((dipyridin-2-ylmethyl)((6-(neopentylamino)pyridin-2-yl)methyl)amino)methyl)-N-neopentylpyridin-2-ylamine)(OH)]triflate
• CAS: 1192188-30-9
• 化学式: CF₃O₃S*C₃₃H₄₄FeN₇O
• 分子量: 759.676
• InChiKey: USARQOQWOJFSPS-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  [Fe(6-(((dipyridin-2-ylmethyl)((6-(neopentylamino)pyridin-2-yl)methyl)amino)methyl)-N-neopentylpyridin-2-ylamine)(OH)]triflate 在 O₂ 、 ascorbic acid 作用下， 以 乙腈 为溶剂， 生成 [Fe(6-(((dipyridin-2-ylmethyl)((6-(neopentylamino)pyridin-2-yl)methyl)amino)methyl)-N-neopentylpyridin-2-ylamine)(triflate)]OTf
  参考文献：
  名称：

  A Hydrogen-Bond Facilitated Cycle for Oxygen Reduction by an Acid- and Base-Compatible Iron Platform

  摘要：

  We report a hydrogen-bond functionalized N4Py ligand platform (N, N-bis(2-R-6-pyridylmethyl)-N-bis(2-pyridyl)methylamine; R = neopentyl-NH, N4py2(NpNH), g; R = phenyl-NH, N4Py(2PhNH), 10) and the ability of its iron(II)-triflate [(N4PyFeII)-Fe-2R(OTf)][OTf] complexes (R = NpNH, 11; R = PhNH, 12) to activate and reduce dioxygen in a synthetic cycle by coupled proton and electron transfer. A pair of iron(III)-hydroxide [N4Py(2R)Fe(III)(OH)][OTf](2) complexes (R = NpNH, 13; R = PhNH, 14) are isolated and structurally and spectroscopically characterized after exposure of the iron(II)-triflate precursors to 1 atm of O-2 at ambient temperature. The stability of this system to acids and bases allows regeneration of the labile iron(II)-triflate starting materials by sequential electron and proton transfer with cobaltocene and triflic acid, respectively, or through direct proton-coupled reduction with ascorbic acid. In the stepwise process, reduction of the iron(III)-hydroxide complexes with cobaltocene gives structurally homologous iron(II)-hydroxide [N4Py(2R)Fe(II)(OH)][OTf] congeners (R = NpNH, 15; R = PhNH, 16) that can be prepared independently from 11 and 12 with 20% aq. NaOH. Additions of triflic acid to complexes 15 and 16 furnish the starting compounds 11 and 12, respectively, to complete the synthetic cycle. The combined data establish a synthetic cycle for O-2 reduction by an iron platform that manages proton and electron transfer through its first and second coordination spheres.

  DOI：

  10.1021/ic9006668
• 作为产物：
  描述：

  [Fe(6-(((dipyridin-2-ylmethyl)((6-(neopentylamino)pyridin-2-yl)methyl)amino)methyl)-N-neopentylpyridin-2-ylamine)(OH)](OTf)2*2THF 在 cobaltocene 作用下， 以 not given 为溶剂， 生成 [Fe(6-(((dipyridin-2-ylmethyl)((6-(neopentylamino)pyridin-2-yl)methyl)amino)methyl)-N-neopentylpyridin-2-ylamine)(OH)]triflate
  参考文献：
  名称：

  A Hydrogen-Bond Facilitated Cycle for Oxygen Reduction by an Acid- and Base-Compatible Iron Platform

  摘要：

  We report a hydrogen-bond functionalized N4Py ligand platform (N, N-bis(2-R-6-pyridylmethyl)-N-bis(2-pyridyl)methylamine; R = neopentyl-NH, N4py2(NpNH), g; R = phenyl-NH, N4Py(2PhNH), 10) and the ability of its iron(II)-triflate [(N4PyFeII)-Fe-2R(OTf)][OTf] complexes (R = NpNH, 11; R = PhNH, 12) to activate and reduce dioxygen in a synthetic cycle by coupled proton and electron transfer. A pair of iron(III)-hydroxide [N4Py(2R)Fe(III)(OH)][OTf](2) complexes (R = NpNH, 13; R = PhNH, 14) are isolated and structurally and spectroscopically characterized after exposure of the iron(II)-triflate precursors to 1 atm of O-2 at ambient temperature. The stability of this system to acids and bases allows regeneration of the labile iron(II)-triflate starting materials by sequential electron and proton transfer with cobaltocene and triflic acid, respectively, or through direct proton-coupled reduction with ascorbic acid. In the stepwise process, reduction of the iron(III)-hydroxide complexes with cobaltocene gives structurally homologous iron(II)-hydroxide [N4Py(2R)Fe(II)(OH)][OTf] congeners (R = NpNH, 15; R = PhNH, 16) that can be prepared independently from 11 and 12 with 20% aq. NaOH. Additions of triflic acid to complexes 15 and 16 furnish the starting compounds 11 and 12, respectively, to complete the synthetic cycle. The combined data establish a synthetic cycle for O-2 reduction by an iron platform that manages proton and electron transfer through its first and second coordination spheres.

  DOI：

  10.1021/ic9006668