bis(N-methylimidazol-2-yl)-3-methylthiopropanol | 882977-27-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: bis(N-methylimidazol-2-yl)-3-methylthiopropanol
• 英文别名: 1,1-Bis(1-methylimidazol-2-yl)-3-methylsulfanylpropan-1-ol；1,1-bis(1-methylimidazol-2-yl)-3-methylsulfanylpropan-1-ol
• CAS: 882977-27-7
• 化学式: C₁₂H₁₈N₄OS
• 分子量: 266.367
• InChiKey: DLVHSYQTELCHTI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  81.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  甲醇 、 iron(II) tetrafluoroborate hexahydrate 、 bis(N-methylimidazol-2-yl)-3-methylthiopropanol 以 甲醇 为溶剂， 生成 hydroxobis[bis(N-methylimidazol-2-yl)-3-methylthiopropanol]iron(II) tetrafluoroborate
  参考文献：
  名称：

  Monomeric Iron(II) Hydroxo and Iron(III) Dihydroxo Complexes Stabilized by Intermolecular Hydrogen Bonding

  摘要：

  Using the multidentate ligand bis(N-methylimidazol-2-yl)-3-methylthiopropanol (L), the mononuclear iron(II) hydroxo and iron(III) dihydroxo complexes [Fe-II(L)(2)(OH)](BF4) (1) and [Fe-III(L)(2)(OH)(2)]-(BF4) (2) have been synthesized and characterized by X-ray diffraction and spectroscopic methods. The X-ray data suggest that the remarkable stability of the Fe-OH bond(s) in both compounds results from intermolecular hydrogen-bonding interactions between the hydroxo ligand(s) and the tertiary hydroxyl of the L ligands, which prevent further intermolecular reactions.

  DOI：

  10.1021/ic060100r