7-Chloro-6-fluoro-1-(4-methoxy-phenyl)-5-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid ethyl ester | 146560-53-4

• 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-Chloro-6-fluoro-1-(4-methoxy-phenyl)-5-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid ethyl ester
• CAS: 146560-53-4
• 化学式: C₁₉H₁₆ClFN₂O₄
• 分子量: 390.798
• InChiKey: LJFCEJNGILIGMY-UHFFFAOYSA-N

物化性质

• 沸点：
  556.6±50.0 °C(predicted)
• 密度：
  1.380±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.67
• 重原子数：
  27.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  70.42
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  7-Chloro-6-fluoro-1-(4-methoxy-phenyl)-5-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid ethyl ester 在 氢溴酸 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 溶剂黄146 、 乙腈 为溶剂， 反应 4.0h， 生成 7-<(3S)-3-amino-1-pyrrolidynyl>-6-fluoro-1-(4-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：

  2-(ethoxymethylene)-3-(2,6-dichloro-3-fluoro-4-methyl-5-pyridinyl)-3-oxopropionic acid ethyl ester 在 potassium carbonate 作用下， 以 乙醇 、 乙腈 为溶剂， 反应 4.0h， 生成 7-Chloro-6-fluoro-1-(4-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