4-[2-(3-fluoro-benzenesulfonyl)-ethyl]-2-(4-methoxy-phenyl)-5-methyl-2,4-dihydro-[1,2,4]triazol-3-one | 1236442-86-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-[2-(3-fluoro-benzenesulfonyl)-ethyl]-2-(4-methoxy-phenyl)-5-methyl-2,4-dihydro-[1,2,4]triazol-3-one
• 英文别名: 4-[2-(3-Fluorophenyl)sulfonylethyl]-2-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-one
• CAS: 1236442-86-6
• 化学式: C₁₈H₁₈FN₃O₄S
• 分子量: 391.423
• InChiKey: SAMQSMWDEYBNCG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  87.7
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-[2-(3-fluoro-phenylsulfanyl)-ethyl]-2-(4-methoxy-phenyl)-5-methyl-2,4-dihydro-[1,2,4]triazol-3-one 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 以97%的产率得到4-[2-(3-fluoro-benzenesulfonyl)-ethyl]-2-(4-methoxy-phenyl)-5-methyl-2,4-dihydro-[1,2,4]triazol-3-one
  参考文献：
  名称：

  Synthesis, characterization and antimicrobial studies of 2-(4-methoxy-phenyl)-5-methyl-4-(2-arylsulfanyl-ethyl)-2,4-dihydro-[1,2,4] triazolo-3-ones and their corresponding sulfones

  摘要：

  In the present investigation, a series of novel 2-(4-methoxy-phenyl)-5-methyl-4-(2-arylsulfanyl-ethyl)-2,4-dihydro-[1,2,4] triazolo-3-ones and their corresponding sulfones were prepared with the objective of developing better antimicrobial agents. The chemical structures of the newly synthesized compounds were characterized by spectral (IR, H-1 NMR, C-13 NMR and LCMS) methods. The newly synthesized compounds (4a-i) and (5a-e, 5h) were screened for their antimicrobial activity against Bacillus subtilis, Staphylococcus aureus, Staphylococcus epidermidis, Escherichia coli and Pseudomonas aeruginosa. The antifungal activity was tested against Rhizopus oryzae, Aspergillus niger, Aspergillus flavus, Candida albicans and Saccharomyces cerevisiae. Among all the compounds synthesized, compounds 4d and 5b exhibited significant antibacterial activity. (C) 2010 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2010.04.016

文献信息

• Synthesis, characterization and antimicrobial studies of 2-(4-methoxy-phenyl)-5-methyl-4-(2-arylsulfanyl-ethyl)-2,4-dihydro-[1,2,4] triazolo-3-ones and their corresponding sulfones
  作者：Bhimagouda S. Patil、G. Krishnamurthy、H.S. Bhojya Naik、Prashant R. Latthe、Manjunath Ghate

  DOI：10.1016/j.ejmech.2010.04.016

  日期：2010.8

  In the present investigation, a series of novel 2-(4-methoxy-phenyl)-5-methyl-4-(2-arylsulfanyl-ethyl)-2,4-dihydro-[1,2,4] triazolo-3-ones and their corresponding sulfones were prepared with the objective of developing better antimicrobial agents. The chemical structures of the newly synthesized compounds were characterized by spectral (IR, H-1 NMR, C-13 NMR and LCMS) methods. The newly synthesized compounds (4a-i) and (5a-e, 5h) were screened for their antimicrobial activity against Bacillus subtilis, Staphylococcus aureus, Staphylococcus epidermidis, Escherichia coli and Pseudomonas aeruginosa. The antifungal activity was tested against Rhizopus oryzae, Aspergillus niger, Aspergillus flavus, Candida albicans and Saccharomyces cerevisiae. Among all the compounds synthesized, compounds 4d and 5b exhibited significant antibacterial activity. (C) 2010 Elsevier Masson SAS. All rights reserved.