2,2'-dimethyl-4,5'-dinitro-1H,1'H-ethane-1,2-diyl-bis-imidazole | 25262-71-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2,2'-dimethyl-4,5'-dinitro-1H,1'H-ethane-1,2-diyl-bis-imidazole
• 英文别名: 2-Methyl-1-[2-(2-methyl-4-nitroimidazol-1-yl)ethyl]-5-nitroimidazole；2-methyl-1-[2-(2-methyl-4-nitroimidazol-1-yl)ethyl]-5-nitroimidazole
• CAS: 25262-71-9
• 化学式: C₁₀H₁₂N₆O₄
• 分子量: 280.243
• InChiKey: ONJDEOOWIZCSHF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  127
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 4-methylbenzenesulfonate 在 硫酸 、 水 、 硝酸 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 23.5h， 生成 2,2'-dimethyl-4,5'-dinitro-1H,1'H-ethane-1,2-diyl-bis-imidazole
  参考文献：
  名称：

  Multifunctional derivatives of metronidazole

  摘要：

  The design and synthesis of a series of multifunctional metronidazole derivatives are described. The main series are multi-esters having two or more metronidazole groups linked together by aryl or allyl systems. A second system is two nitro-2-methylimidazole groups joined by a dimethylene link. The third is polymeric 2-(2-methyl-5-nitroimidazol-1-yl)ethyl acrylate. The triester, metronidazole trimesate, is exceptionally active as an antibacterial compound, which appears to be associated with a rigid, three-point attachment. (C) 1998 Elsevier Science S.A.

  DOI：

  10.1016/s0014-827x(97)00007-4