7-((S)-3-Amino-pyrrolidin-1-yl)-6-fluoro-1-(4-fluoro-2-methoxy-phenyl)-5-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid ethyl ester | 146560-54-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 7-((S)-3-Amino-pyrrolidin-1-yl)-6-fluoro-1-(4-fluoro-2-methoxy-phenyl)-5-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid ethyl ester
• CAS: 146560-54-5
• 化学式: C₂₃H₂₄F₂N₄O₄
• 分子量: 458.465
• InChiKey: XGRFTXIWCOCKAI-AWEZNQCLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  33.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  99.68
• 氢给体数：
  1.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  7-((S)-3-Amino-pyrrolidin-1-yl)-6-fluoro-1-(4-fluoro-2-methoxy-phenyl)-5-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid ethyl ester 在 氢溴酸 作用下， 以 溶剂黄146 为溶剂， 生成 7-<(3S)-3-amino-1-pyrrolidynyl>-6-fluoro-1-(4-fluoro-2-hydroxyphenyl)-1,4-dihydro-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
  参考文献：
  名称：

  Synthesis and Biological Activity of Novel N-1-Aryl-6-fluoro-5-methyl 1,8-Naphthyridine-3-carboxylic Acids

  摘要：

  A series of 5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acids was prepared in which the N-1 position was substituted by various aryl groups. Seven compounds showed excellent in vitro antibacterial activity against Gram-positive and Gram-negative strains.

  DOI：

  10.3987/com-92-6121
• 作为产物：
  描述：

  5-氟-2-硝基苯甲醚 在 palladium on activated charcoal 氢气 、 potassium carbonate 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 乙醇 、 乙腈 为溶剂， 反应 4.0h， 生成 7-((S)-3-Amino-pyrrolidin-1-yl)-6-fluoro-1-(4-fluoro-2-methoxy-phenyl)-5-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid ethyl ester
  参考文献：
  名称：

  Synthesis and Biological Activity of Novel N-1-Aryl-6-fluoro-5-methyl 1,8-Naphthyridine-3-carboxylic Acids

  摘要：

  A series of 5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acids was prepared in which the N-1 position was substituted by various aryl groups. Seven compounds showed excellent in vitro antibacterial activity against Gram-positive and Gram-negative strains.

  DOI：

  10.3987/com-92-6121