1,1'-{5-[(4-methylpiperazin-1-yl)methyl]-4,6-dihydroxy-1,3-phenylene}diethanone | 1260154-47-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,1'-{5-[(4-methylpiperazin-1-yl)methyl]-4,6-dihydroxy-1,3-phenylene}diethanone
• 英文别名: 1-[5-acetyl-2,4-dihydroxy-3-(4-methylpiperazinomethyl)phenyl]-1-ethanone
• CAS: 1260154-47-9
• 化学式: C₁₆H₂₂N₂O₄
• 分子量: 306.362
• InChiKey: WCKDDABGKYBIEM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.25
• 重原子数：
  22.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  81.08
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  N-甲基哌嗪 、 聚合甲醛 、 1,1'-(4,6-二羟基苯)二乙酮 在 四丁基溴化铵 作用下， 以 氯仿 、 水 为溶剂， 反应 24.0h， 以57%的产率得到1,1'-{5-[(4-methylpiperazin-1-yl)methyl]-4,6-dihydroxy-1,3-phenylene}diethanone
  参考文献：
  名称：

  Khan, Mohammed Sardaryar; Husain, Asif; Sharma, Sanjay, Acta poloniae pharmaceutica, 2010, vol. 67, # 3, p. 261 - 266

  摘要：

  DOI：

文献信息

• SYNTHESIS AND MICROBIOLOGICAL EVALUATION OF MANNICH BASES DERIVED FROM 4,6-DIACETYLRESORCINOL
  作者：ASIF HUSAIN、MOHAMMAD MAAZ、KHURSHEED AHMAD ANSARI、AUSAF AHMAD、MOHD RASHID

  DOI：10.4067/s0717-97072010000300012

  日期：——

  In the present investigations 4,6-diacetyl resorcinol 1 on condensation with formaldehyde and some selected amines following the Mannich reaction conditions yielded eight new Mannich bases 2a-h. It was observed that the reaction did not take place at the acetyl function but occurred at the 2-position into the aromatic ring. The compounds were characterized on the basis of elemental analysis as well as (1)H NMR and Mass spectral data. The antibacterial and antifungal activities of the title compounds were tested by the disc diffusion method using nutrient agar medium against various microorganisms such as gram positive Staphylococcus aureus and Bacillus subtilis, gram negative Escherichia coli and the fungi Aspergillus flavus and Candida albicans. Ofloxacin and voriconazole at 20 mu g/mL were used as standard drugs for antibacterial and antifungal activities, respectively.