4-[5-(Benzylsulfanyl)-1,3,4-oxadiazol-2-yl]-2-methylquinoline | 90074-51-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 4-[5-(Benzylsulfanyl)-1,3,4-oxadiazol-2-yl]-2-methylquinoline
• 英文别名: 2-benzylsulfanyl-5-(2-methylquinolin-4-yl)-1,3,4-oxadiazole
• CAS: 90074-51-4
• 化学式: C₁₉H₁₅N₃OS
• 分子量: 333.414
• InChiKey: LSMPBNBVSZLSGZ-UHFFFAOYSA-N

物化性质

• 熔点：
  148-149 °C(Solv: ethanol (64-17-5))
• 沸点：
  544.5±60.0 °C(Predicted)
• 密度：
  1.33±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  77.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-[5-(Benzylsulfanyl)-1,3,4-oxadiazol-2-yl]-2-methylquinoline 在 potassium permanganate 作用下， 以 水 、 溶剂黄146 为溶剂， 反应 2.0h， 以80.5%的产率得到2-Benzylsulfonyl-5-(2-methylquinolin-4-yl)-1,3,4-oxadiazole
  参考文献：
  名称：

  Synthesis of Some New Antimicrobial Thiadiazolyl and Oxadiazolyl Quinoline Derivatives

  摘要：

  Two series of substituted thiadiazolyl and oxadiazolylquinolines (3a-h, 4a-h, 7a-f, 8a-f and 9) were synthesized and screened for their antimicrobial activity. Some of the tested compounds showed promising activity. Compound 4b exhibited bactericidal activity against S. aureus at 31.25 mu g/ml. While compound 8a showed distinct antifungal activity against C. albicans (MIC at 31.25 mu g/ml). The detailed synthesis, spectroscopic and biological data are reported.

  DOI：

  10.1007/s00044-005-0138-7
• 作为产物：
  描述：

  2-甲基喹啉-4-羧酸肼 在 氢氧化钾 作用下， 以 乙醇 、 水 为溶剂， 反应 2.0h， 生成 4-[5-(Benzylsulfanyl)-1,3,4-oxadiazol-2-yl]-2-methylquinoline
  参考文献：
  名称：

  Synthesis of Some New Antimicrobial Thiadiazolyl and Oxadiazolyl Quinoline Derivatives

  摘要：

  Two series of substituted thiadiazolyl and oxadiazolylquinolines (3a-h, 4a-h, 7a-f, 8a-f and 9) were synthesized and screened for their antimicrobial activity. Some of the tested compounds showed promising activity. Compound 4b exhibited bactericidal activity against S. aureus at 31.25 mu g/ml. While compound 8a showed distinct antifungal activity against C. albicans (MIC at 31.25 mu g/ml). The detailed synthesis, spectroscopic and biological data are reported.

  DOI：

  10.1007/s00044-005-0138-7