1-(2,4-difluorobenzyl)-4-octyl-1H-1,2,4-triazol-4-ium bromide | 1335568-34-7

• 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: 1-(2,4-difluorobenzyl)-4-octyl-1H-1,2,4-triazol-4-ium bromide
• 英文别名: 1-[(2,4-Difluorophenyl)methyl]-4-octyl-1,2,4-triazol-4-ium;bromide
• CAS: 1335568-34-7
• 化学式: Br*C₁₇H₂₄F₂N₃
• 分子量: 388.298
• InChiKey: QVNBTONMTQFLBW-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.86
• 重原子数：
  23
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  21.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2,4-二氟溴苄 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 1.0h， 生成 1-(2,4-difluorobenzyl)-4-octyl-1H-1,2,4-triazol-4-ium bromide
  参考文献：
  名称：

  Synthesis of novel fluconazoliums and their evaluation for antibacterial and antifungal activities

  摘要：

  A series of novel fluconazoliums were synthesized and their bioactive evaluation as potential antibacterial and antifungal agents were described. Some target compounds displayed good and broad-spectrum antimicrobial activities with low MIC values ranging from 0.25 to 64 mu g/mL against all the tested strains, including three Gram-positive bacteria (Staphylococcus aureus, MRSA and Bacillus subtilis), three Gram-negative bacteria (Escherichia coli, Pseudomonas aeruginosa and Bacillus proteus) as well as two fungi (Candida albicans and Aspergillus fumigatus). Among all tested title compounds, the octyl, dichlorobenzyl, naphthyl and naphthalimino derivatives gave comparable or even better antibacterial and antifungal efficiency in comparison with the reference drugs Fluconazole. Chloromycin and Norfloxacin. (C) 2011 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2011.07.010

文献信息

• Synthesis of novel fluconazoliums and their evaluation for antibacterial and antifungal activities
  作者：Yi-Yi Zhang、Jia-Li Mi、Cheng-He Zhou、Xiang-Dong Zhou

  DOI：10.1016/j.ejmech.2011.07.010

  日期：2011.9

  A series of novel fluconazoliums were synthesized and their bioactive evaluation as potential antibacterial and antifungal agents were described. Some target compounds displayed good and broad-spectrum antimicrobial activities with low MIC values ranging from 0.25 to 64 mu g/mL against all the tested strains, including three Gram-positive bacteria (Staphylococcus aureus, MRSA and Bacillus subtilis), three Gram-negative bacteria (Escherichia coli, Pseudomonas aeruginosa and Bacillus proteus) as well as two fungi (Candida albicans and Aspergillus fumigatus). Among all tested title compounds, the octyl, dichlorobenzyl, naphthyl and naphthalimino derivatives gave comparable or even better antibacterial and antifungal efficiency in comparison with the reference drugs Fluconazole. Chloromycin and Norfloxacin. (C) 2011 Elsevier Masson SAS. All rights reserved.