1,5-bis[(2-hydroxy-5-methoxybenzyl)(2-pyridylmethyl)amino]pentan-3-ol | 1140533-45-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 1,5-bis[(2-hydroxy-5-methoxybenzyl)(2-pyridylmethyl)amino]pentan-3-ol
• 英文别名: 2-[[[3-Hydroxy-5-[(2-hydroxy-5-methoxyphenyl)methyl-(pyridin-2-ylmethyl)amino]pentyl]-(pyridin-2-ylmethyl)amino]methyl]-4-methoxyphenol；2-[[[3-hydroxy-5-[(2-hydroxy-5-methoxyphenyl)methyl-(pyridin-2-ylmethyl)amino]pentyl]-(pyridin-2-ylmethyl)amino]methyl]-4-methoxyphenol
• CAS: 1140533-45-4
• 化学式: C₃₃H₄₀N₄O₅
• 分子量: 572.704
• InChiKey: VYKDAWHSDUEGQJ-UHFFFAOYSA-N

物化性质

• 沸点：
  760.3±60.0 °C(predicted)
• 密度：
  1.235±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  42
• 可旋转键数：
  16
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  111
• 氢给体数：
  3
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  甲醇 、 1,5-bis[(2-hydroxy-5-methoxybenzyl)(2-pyridylmethyl)amino]pentan-3-ol 、 四苯硼钠 、 manganese(III) triacetate dihydrate 以 甲醇 为溶剂， 以26%的产率得到[Mn2(1,5-bis[(2-hydroxy-5-methoxybenzyl)(2-pyridylmethyl)amino]pentan-3-ol-3H)(μ-OMe)(μ-OAc)]BPh4
  参考文献：
  名称：

  Synthesis, Structure, and Catalase-Like Activity of Dimanganese(III) Complexes of 1,5-Bis[(2-hydroxy-5-X-benzyl)(2-pyridylmethyl)amino]pentan-3-ol (X = H, Br, OCH₃)

  摘要：

  New diMn(III) complexes of general formula [Mn2L(mu-OR)(mu-OAc)]BPh4 (H3L = 1,5-bis[(2-hydroxy-5-X-benzyl)(2-pyridylmethyl)amino]pentan-3-ol, 1: X = H, R = Me, 2: X = OMe, R = Me, 3: X = Br, R = Me, 4: X = Br, R = Et) have been prepared and structurally characterized. The synthesized complexes possess a triply bridged (mu-alkoxo)(2)(mu-acetato)Mn-2(3+) core, a short intermetallic distance of 2.95/6 angstrom modulated by the aliphatic spacers between the central alcoholato and N-amino donor sites, and the remaining coordination sites of the two Mn-III centers occupied by the six donor atoms of the polydentate ligand. In dimethylformamide, complexes 1-3 are able to disproportionate more than 1500 equiv of H2O2 without significant decomposition, with first-order dependence on catalyst and saturation kinetic on [H2O2]. Spectroscopic monitoring of the reaction mixtures revealed that the catalyst converts into [Mn-2(III)(mu-O)(mu-OAc)L], which is the major active form during cycling. Overall, kinetics and spectroscopic studies of H2O2 dismutation by these complexes converge at a catalytic cycle between Mn-2(III) and Mn-2(II) oxidation levels. Comparison to other alkoxo-bridged complexes suggests that the binding mode of peroxide to the metal center of the Mn-2(III) form of the catalyst is a key factor for tuning the Mn oxidation states involved in the H2O2 dismutation mechanism.

  DOI：

  10.1021/ic8019793

文献信息

• Synthesis, Structure, and Catalase-Like Activity of Dimanganese(III) Complexes of 1,5-Bis[(2-hydroxy-5-X-benzyl)(2-pyridylmethyl)amino]pentan-3-ol (X = H, Br, OCH₃)
  作者：Hernán Biava、Claudia Palopoli、Carine Duhayon、Jean-Pierre Tuchagues、Sandra Signorella

  DOI：10.1021/ic8019793

  日期：2009.4.6

  New diMn(III) complexes of general formula [Mn2L(mu-OR)(mu-OAc)]BPh4 (H3L = 1,5-bis[(2-hydroxy-5-X-benzyl)(2-pyridylmethyl)amino]pentan-3-ol, 1: X = H, R = Me, 2: X = OMe, R = Me, 3: X = Br, R = Me, 4: X = Br, R = Et) have been prepared and structurally characterized. The synthesized complexes possess a triply bridged (mu-alkoxo)(2)(mu-acetato)Mn-2(3+) core, a short intermetallic distance of 2.95/6 angstrom modulated by the aliphatic spacers between the central alcoholato and N-amino donor sites, and the remaining coordination sites of the two Mn-III centers occupied by the six donor atoms of the polydentate ligand. In dimethylformamide, complexes 1-3 are able to disproportionate more than 1500 equiv of H2O2 without significant decomposition, with first-order dependence on catalyst and saturation kinetic on [H2O2]. Spectroscopic monitoring of the reaction mixtures revealed that the catalyst converts into [Mn-2(III)(mu-O)(mu-OAc)L], which is the major active form during cycling. Overall, kinetics and spectroscopic studies of H2O2 dismutation by these complexes converge at a catalytic cycle between Mn-2(III) and Mn-2(II) oxidation levels. Comparison to other alkoxo-bridged complexes suggests that the binding mode of peroxide to the metal center of the Mn-2(III) form of the catalyst is a key factor for tuning the Mn oxidation states involved in the H2O2 dismutation mechanism.