bis(1-methylimidazol-2-yl)(2-aminophenyl)methanol | 700814-01-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: bis(1-methylimidazol-2-yl)(2-aminophenyl)methanol
• 英文别名: (2-Aminophenyl)-bis(1-methylimidazol-2-yl)methanol
• CAS: 700814-01-3
• 化学式: C₁₅H₁₇N₅O
• 分子量: 283.333
• InChiKey: OFBHYYSUVBQVTR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  81.9
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  甲醇 、 bis(1-methylimidazol-2-yl)(2-aminophenyl)methanol 、 二氯甲烷 、 manganese (II) acetate tetrahydrate 以 甲醇 、 二氯甲烷 为溶剂， 以32%的产率得到[Mn(III)(bis(1-methylimidazol-2-yl)(2-aminophenyl)methanolato)2(OAc)]*methanol*H2O*dichloromethane
  参考文献：
  名称：

  Mimicking the reduced, oxidized and azide inhibited form of manganese superoxide dismutase by mononuclear Mn compounds utilizing tridentate ligands

  摘要：

  The manganese complexes [Mn-II(HbMiMPM)(2)(NO3)](NO3).Et2O (1), [MDIII(bmimpm)(2)(OAc)].2CH(2)Cl(2) (2), and [Mn-III(bmiapm)(2)(OAc)].MeOH.H2O.CH2Cl2 (3) containing the new ligands Bis(1-methylimidazol-2-yl)-(4-methoxyphen-1-yl)methanol (Hbmimpm) and Bis[(1-methylimidazol-2-yl)](2-aminophenyl)methanol (Hbmiapm) were synthesized. They are good structural models for the reduced (1) and oxidized (2, 3) form of manganese superoxide dismutase. All complexes were characterized by spectroscopic methods and X-ray structure analysis. Compounds 1 and 2 crystallize in the monoclinic space group P2(1)/c whereas complex 3 crystallizes in the monoclinic space group P2(1)/n. The coordination sphere around the manganese cores is distorted octahedral with two corresponding tridentate ligands representing the protein ligands and one nitrate (1) or acetate (2, 3) ion occupying two cis positions. Similar to the enzyme the Mn(III) complex 2 reacts with sodium azide. The obtained microcrystalline azide adduct was characterized by UV-Vis and IR spectroscopy. (C) 2003 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2003.10.008

文献信息

• Mimicking the reduced, oxidized and azide inhibited form of manganese superoxide dismutase by mononuclear Mn compounds utilizing tridentate ligands
  作者：D Pursche、M.U Triller、C Slinn、N Reddig、A Rompel、B Krebs

  DOI：10.1016/j.ica.2003.10.008

  日期：2004.4

  The manganese complexes [Mn-II(HbMiMPM)(2)(NO3)](NO3).Et2O (1), [MDIII(bmimpm)(2)(OAc)].2CH(2)Cl(2) (2), and [Mn-III(bmiapm)(2)(OAc)].MeOH.H2O.CH2Cl2 (3) containing the new ligands Bis(1-methylimidazol-2-yl)-(4-methoxyphen-1-yl)methanol (Hbmimpm) and Bis[(1-methylimidazol-2-yl)](2-aminophenyl)methanol (Hbmiapm) were synthesized. They are good structural models for the reduced (1) and oxidized (2, 3) form of manganese superoxide dismutase. All complexes were characterized by spectroscopic methods and X-ray structure analysis. Compounds 1 and 2 crystallize in the monoclinic space group P2(1)/c whereas complex 3 crystallizes in the monoclinic space group P2(1)/n. The coordination sphere around the manganese cores is distorted octahedral with two corresponding tridentate ligands representing the protein ligands and one nitrate (1) or acetate (2, 3) ion occupying two cis positions. Similar to the enzyme the Mn(III) complex 2 reacts with sodium azide. The obtained microcrystalline azide adduct was characterized by UV-Vis and IR spectroscopy. (C) 2003 Elsevier B.V. All rights reserved.