2-ethyl-3-benzyloxy-5-N-piperidylmethyl-pyridin-4-one

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-ethyl-3-benzyloxy-5-N-piperidylmethyl-pyridin-4-one
• 英文别名: 2-ethyl-3-phenylmethoxy-5-(piperidin-1-ylmethyl)-1H-pyridin-4-one
• 化学式: C₂₀H₂₆N₂O₂
• 分子量: 326.439
• InChiKey: BFFJWAPXJQIMOX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  41.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-ethyl-3-benzyloxy-5-N-piperidylmethyl-pyridin-4-one 在 10% palladium on carbon 、 氢气 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 以25%的产率得到2-ethyl-3-hydroxy-5-N-piperidylmethyl-pyridin-4-one
  参考文献：
  名称：

  Synthesis, antimicrobial evaluation and QSAR study of some 3-hydroxypyridine-4-one and 3-hydroxypyran-4-one derivatives

  摘要：

  A series of Mannich bases of 2-alkyl-3-hydroxy-pyridine-4-ones, namely 2-alkyl-3-hydroxy-5-N-piperidylmethyl or N,N-dialkylaminomethyl pyridine-4-ones 9, 10 and 15-18, two derivatives of N-aryl-2methyl-3-hydroxy-pyridine-4-ones 19, 20 and two N-alkyl derivatives of maltol, 21 and 22 were prepared. They were screened for their antibacterial and antifungal activities against a variety of microorganisms using micro plate Alamar Blues assay (MABA) method. Multiple linear regressions (MLR) analysis was performed for the synthesized compounds as well as a series of pyridinone and pyranone derivatives 23-43 which have been synthesized and evaluated for antimicrobial activity by other researchers previously. Studied compounds showed a better quantitative structure-activity relationship (QSAR) model for the antimicrobial activity against Candida albicans and Staphylococcus aureus in comparison with other tested microorganisms. (C) 2008 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2008.10.022
• 作为产物：
  描述：

  哌啶 、 聚合甲醛 、 2-ethyl-3-(benzyloxy)-4-hydroxypyridine 以 乙醇 、 水 为溶剂， 以38%的产率得到2-ethyl-3-benzyloxy-5-N-piperidylmethyl-pyridin-4-one
  参考文献：
  名称：

  Synthesis, antimicrobial evaluation and QSAR study of some 3-hydroxypyridine-4-one and 3-hydroxypyran-4-one derivatives

  摘要：

  A series of Mannich bases of 2-alkyl-3-hydroxy-pyridine-4-ones, namely 2-alkyl-3-hydroxy-5-N-piperidylmethyl or N,N-dialkylaminomethyl pyridine-4-ones 9, 10 and 15-18, two derivatives of N-aryl-2methyl-3-hydroxy-pyridine-4-ones 19, 20 and two N-alkyl derivatives of maltol, 21 and 22 were prepared. They were screened for their antibacterial and antifungal activities against a variety of microorganisms using micro plate Alamar Blues assay (MABA) method. Multiple linear regressions (MLR) analysis was performed for the synthesized compounds as well as a series of pyridinone and pyranone derivatives 23-43 which have been synthesized and evaluated for antimicrobial activity by other researchers previously. Studied compounds showed a better quantitative structure-activity relationship (QSAR) model for the antimicrobial activity against Candida albicans and Staphylococcus aureus in comparison with other tested microorganisms. (C) 2008 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2008.10.022

文献信息

• Synthesis, antimicrobial evaluation and QSAR study of some 3-hydroxypyridine-4-one and 3-hydroxypyran-4-one derivatives
  作者：Afshin Fassihi、Daryoush Abedi、Lotfollah Saghaie、Razieh Sabet、Hossein Fazeli、Ghasem Bostaki、Omid Deilami、Hekmatollah Sadinpour

  DOI：10.1016/j.ejmech.2008.10.022

  日期：2009.5

  A series of Mannich bases of 2-alkyl-3-hydroxy-pyridine-4-ones, namely 2-alkyl-3-hydroxy-5-N-piperidylmethyl or N,N-dialkylaminomethyl pyridine-4-ones 9, 10 and 15-18, two derivatives of N-aryl-2methyl-3-hydroxy-pyridine-4-ones 19, 20 and two N-alkyl derivatives of maltol, 21 and 22 were prepared. They were screened for their antibacterial and antifungal activities against a variety of microorganisms using micro plate Alamar Blues assay (MABA) method. Multiple linear regressions (MLR) analysis was performed for the synthesized compounds as well as a series of pyridinone and pyranone derivatives 23-43 which have been synthesized and evaluated for antimicrobial activity by other researchers previously. Studied compounds showed a better quantitative structure-activity relationship (QSAR) model for the antimicrobial activity against Candida albicans and Staphylococcus aureus in comparison with other tested microorganisms. (C) 2008 Elsevier Masson SAS. All rights reserved.