3-(4,5-二氯咪唑-1-基甲基)苯甲酸甲酯 | 175203-11-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-(4,5-二氯咪唑-1-基甲基)苯甲酸甲酯
• 英文名称: Methyl 3-(4,5-dichloroimidazol-1-ylmethyl)benzoate
• 英文别名: methyl 3-[(4,5-dichloroimidazol-1-yl)methyl]benzoate
• CAS: 175203-11-9
• 化学式: C₁₂H₁₀Cl₂N₂O₂
• 分子量: 285.13
• InChiKey: FQFIMFRRRMAAOP-UHFFFAOYSA-N

物化性质

• 沸点：
  455.1±40.0 °C(Predicted)
• 密度：
  1.38±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  44.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(4,5-二氯咪唑-1-基甲基)苯甲酸甲酯 、 碘甲烷 以 乙腈 为溶剂， 反应 24.0h， 以62.5%的产率得到
  参考文献：
  名称：

  Synthesis and antimicrobial studies of silver N-heterocyclic carbene complexes bearing a methyl benzoate substituent

  摘要：

  Due to the properties of silver as an antimicrobial, our research group has synthesized many different silver carbene complexes. Two new silver N-heterocyclic carbene complexes derived from 4,5-dichloroimidazole and theobromine bearing methyl benzoate substituents were synthesized by in situ carbene formation using silver acetate as the base in the reaction. The new compounds were fully characterized by several methods including NMR spectroscopy and X-ray crystallography. Preliminary antimicrobial efficacy studies against Pseudomonas aeruginosa, Staphylococcus aureus, and Escherichia coli were conducted. The results of this study demonstrated antimicrobial efficacy of the two complexes comparable to silver nitrate, showing their potential for use in the treatment of bacterial infections. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2010.08.008
• 作为产物：
  描述：

  4,5-二氯咪唑 、 3-(溴甲基)苯甲酸甲酯 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 18.0h， 以87.7%的产率得到3-(4,5-二氯咪唑-1-基甲基)苯甲酸甲酯
  参考文献：
  名称：

  Synthesis and antimicrobial studies of silver N-heterocyclic carbene complexes bearing a methyl benzoate substituent

  摘要：

  Due to the properties of silver as an antimicrobial, our research group has synthesized many different silver carbene complexes. Two new silver N-heterocyclic carbene complexes derived from 4,5-dichloroimidazole and theobromine bearing methyl benzoate substituents were synthesized by in situ carbene formation using silver acetate as the base in the reaction. The new compounds were fully characterized by several methods including NMR spectroscopy and X-ray crystallography. Preliminary antimicrobial efficacy studies against Pseudomonas aeruginosa, Staphylococcus aureus, and Escherichia coli were conducted. The results of this study demonstrated antimicrobial efficacy of the two complexes comparable to silver nitrate, showing their potential for use in the treatment of bacterial infections. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2010.08.008

文献信息

• Synthesis and antimicrobial studies of silver N-heterocyclic carbene complexes bearing a methyl benzoate substituent
  作者：Amanda R. Knapp、Matthew J. Panzner、Doug A. Medvetz、Brian D. Wright、Claire A. Tessier、Wiley J. Youngs

  DOI：10.1016/j.ica.2010.08.008

  日期：2010.12

  Due to the properties of silver as an antimicrobial, our research group has synthesized many different silver carbene complexes. Two new silver N-heterocyclic carbene complexes derived from 4,5-dichloroimidazole and theobromine bearing methyl benzoate substituents were synthesized by in situ carbene formation using silver acetate as the base in the reaction. The new compounds were fully characterized by several methods including NMR spectroscopy and X-ray crystallography. Preliminary antimicrobial efficacy studies against Pseudomonas aeruginosa, Staphylococcus aureus, and Escherichia coli were conducted. The results of this study demonstrated antimicrobial efficacy of the two complexes comparable to silver nitrate, showing their potential for use in the treatment of bacterial infections. (C) 2010 Elsevier B.V. All rights reserved.