bis(1-methylimidazol-2-yl)(4-methoxyphenyl)methanol | 460350-49-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: bis(1-methylimidazol-2-yl)(4-methoxyphenyl)methanol
• 英文别名: (4-Methoxyphenyl)-bis(1-methylimidazol-2-yl)methanol
• CAS: 460350-49-6
• 化学式: C₁₆H₁₈N₄O₂
• 分子量: 298.345
• InChiKey: DUCMUJOLFDTLLX-UHFFFAOYSA-N

物化性质

• 沸点：
  582.4±50.0 °C(Predicted)
• 密度：
  1.23±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  65.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  bis(1-methylimidazol-2-yl)(4-methoxyphenyl)methanol 在 triethylamine 作用下， 以 甲醇 、 二氯甲烷 、 乙腈 为溶剂， 生成
  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
• 作为产物：
  描述：

  N-甲基咪唑 、 茴香酸乙酯 在 正丁基锂 、 水 作用下， 以 乙醚 、 正己烷 为溶剂， 反应 12.0h， 生成 bis(1-methylimidazol-2-yl)(4-methoxyphenyl)methanol
  参考文献：
  名称：

  [DE] PLATINKOMPLEXVERBINDUNGEN, HERSTELLUNG UND BEHANDLUNG VON KREBSERKRANKUNGEN
  [EN] PLATINUM COMPLEX COMPOUNDS PRODUCTION THEREOF AND TREATMENT OF CANCER DISEASES
  [FR] COMPOSES COMPLEXES DE PLATINE, PRODUCTION DESDITS COMPOSES ET TRAITEMENT DE MALADIES CANCEREUSES

  摘要：

  这项发明涉及新型铂配合物、其制备方法以及在癌症治疗中的应用。

  公开号：

  WO2005058927A1

文献信息

• [DE] PLATINKOMPLEXVERBINDUNGEN, HERSTELLUNG UND BEHANDLUNG VON KREBSERKRANKUNGEN<br/>[EN] PLATINUM COMPLEX COMPOUNDS PRODUCTION THEREOF AND TREATMENT OF CANCER DISEASES<br/>[FR] COMPOSES COMPLEXES DE PLATINE, PRODUCTION DESDITS COMPOSES ET TRAITEMENT DE MALADIES CANCEREUSES
  申请人：UNIV MUENSTER WILHELMS

  公开号：WO2005058927A1

  公开（公告）日：2005-06-30

  Die vorliegende Erfindung betrifft neuartige Platinkomplexverbindungen, ein Verfahren zu ihrer Herstellung, sowie ihre Verwendung in der Therapie von Krebserkrankungen.

  这项发明涉及新型铂配合物、其制备方法以及在癌症治疗中的应用。
• Bridging the Gap between Polyoxometalates and Classic Coordination Compounds: A Novel Type of Hexavanadate Complex
  作者：Markus Piepenbrink、Michael U. Triller、Neville H. J. Gorman、Bernt Krebs

  DOI：10.1002/1521-3773(20020715)41:14<2523::aid-anie2523>3.0.co;2-#

  日期：2002.7.15
• 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.