6-fluoro-1,4-dihydro-8-hydroxy-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid | 1231206-21-5

• 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: 6-fluoro-1,4-dihydro-8-hydroxy-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
• 英文别名: 6-fluoro-8-hydroxy-7-(4-methylpiperazin-1-yl)-4-oxo-1H-quinoline-3-carboxylic acid
• CAS: 1231206-21-5
• 化学式: C₁₅H₁₆FN₃O₄
• 分子量: 321.308
• InChiKey: QTWKSLYDTRBSAW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  93.1
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  重氮甲烷 、 6-fluoro-1,4-dihydro-8-hydroxy-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid 以 氯仿 为溶剂， 生成 methyl 6-fluoro-1,4-dihydro-8-methoxy-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate 、 methyl 6-fluoro-1,4-dihydro-8-hydroxy-1-methyl-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate
  参考文献：
  名称：

  The unexpected photochemistry of marbofloxacin

  摘要：

  The veterinary antimicrobial Marbofloxacin undergoes none of the general photoreactions of fluoroquinolones. Irradiation rather leads to homolytic cleavage of the N-N bond and loss of a fragment to give a phenoxy radical. The final products result from the dimerization, the reduction, or the disproportionation of the radical. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.06.137
• 作为产物：
  描述：

  marbofloxacin 以 水 为溶剂， 生成 6-fluoro-1,4-dihydro-8-hydroxy-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid 、 5-[3-carboxy-6-fluoro-8-hydroxy-7-(4-methylpiperazin-1-yl)-4-oxo-1H-quinolin-5-yl]-6-fluoro-8-hydroxy-7-(4-methylpiperazin-1-yl)-4-oxo-1H-quinoline-3-carboxylic acid
  参考文献：
  名称：

  The unexpected photochemistry of marbofloxacin

  摘要：

  The veterinary antimicrobial Marbofloxacin undergoes none of the general photoreactions of fluoroquinolones. Irradiation rather leads to homolytic cleavage of the N-N bond and loss of a fragment to give a phenoxy radical. The final products result from the dimerization, the reduction, or the disproportionation of the radical. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.06.137

文献信息

• The unexpected photochemistry of marbofloxacin
  作者：Luca Pretali、Elisa Fasani、Daniele Dondi、Mariella Mella、Angelo Albini

  DOI：10.1016/j.tetlet.2010.06.137

  日期：2010.9

  The veterinary antimicrobial Marbofloxacin undergoes none of the general photoreactions of fluoroquinolones. Irradiation rather leads to homolytic cleavage of the N-N bond and loss of a fragment to give a phenoxy radical. The final products result from the dimerization, the reduction, or the disproportionation of the radical. (C) 2010 Elsevier Ltd. All rights reserved.