ethyl 6,7,8-trifluoro-1-(3-fluorophenyl)-1,4-dihydro-4-oxoquinoline-3-carboxylate | 106809-37-4

• 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: ethyl 6,7,8-trifluoro-1-(3-fluorophenyl)-1,4-dihydro-4-oxoquinoline-3-carboxylate
• 英文别名: Ethyl 6,7,8-trifluoro-1-(3-fluorophenyl)-4-oxoquinoline-3-carboxylate
• CAS: 106809-37-4
• 化学式: C₁₈H₁₁F₄NO₃
• 分子量: 365.284
• InChiKey: MLUWFQYWIMLCGF-UHFFFAOYSA-N

物化性质

• 熔点：
  228-229 °C
• 沸点：
  467.0±45.0 °C(Predicted)
• 密度：
  1.459±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  46.6
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  ethyl 6,7,8-trifluoro-1-(3-fluorophenyl)-1,4-dihydro-4-oxoquinoline-3-carboxylate 在 N-甲基吗啉 、 盐酸 、 溶剂黄146 作用下， 以 乙醇 、 二甲基亚砜 为溶剂， 反应 38.0h， 生成 6,8-Difluoro-1-(3-fluoro-phenyl)-7-((R)-3-methyl-piperazin-1-yl)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid; hydrochloride
  参考文献：
  名称：

  Syntheses of quinolone hydrochloride enantiomers from synthons (R)- and (S)-2-methylpiperazine

  摘要：

  A series of R and S enantiomers of 7-(3-methylpiperazin-l-yl) quinolone derivatives were synthesized from (R)- and (S)tert-butyl 2-methylpiperazine-l-carboxylate and tested for their antibacterial activities on 14 kinds of bacteria. Although no distinct difference in in vitro antibacterial activities was observed, 2-64-fold difference between R and S enantiomers was observed in approximately 52% of cases. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.01.032
• 作为产物：
  描述：

  ethyl 3-ethoxy-2-(2,3,4,5-tetrafluorobenzoyl)acrylate 在 potassium carbonate 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 11.0h， 生成 ethyl 6,7,8-trifluoro-1-(3-fluorophenyl)-1,4-dihydro-4-oxoquinoline-3-carboxylate
  参考文献：
  名称：

  Syntheses of quinolone hydrochloride enantiomers from synthons (R)- and (S)-2-methylpiperazine

  摘要：

  A series of R and S enantiomers of 7-(3-methylpiperazin-l-yl) quinolone derivatives were synthesized from (R)- and (S)tert-butyl 2-methylpiperazine-l-carboxylate and tested for their antibacterial activities on 14 kinds of bacteria. Although no distinct difference in in vitro antibacterial activities was observed, 2-64-fold difference between R and S enantiomers was observed in approximately 52% of cases. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.01.032

文献信息

• ——
  作者：GROHE K.、 ZEILER H. -J.、 METZGER K.

  DOI：——

  日期：——