7-[(3R,4R)-3,4-Bis-(tert-butoxycarbonyl-methyl-amino)-pyrrolidin-1-yl]-6-fluoro-1-(2-fluoro-phenyl)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid | 205251-45-2

• 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: 7-[(3R,4R)-3,4-Bis-(tert-butoxycarbonyl-methyl-amino)-pyrrolidin-1-yl]-6-fluoro-1-(2-fluoro-phenyl)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid
• CAS: 205251-45-2
• 化学式: C₃₂H₃₈F₂N₄O₇
• 分子量: 628.673
• InChiKey: QROFABFBWLNXPN-CLJLJLNGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.26
• 重原子数：
  45.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  121.62
• 氢给体数：
  1.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  三氟乙酸 、 7-[(3R,4R)-3,4-Bis-(tert-butoxycarbonyl-methyl-amino)-pyrrolidin-1-yl]-6-fluoro-1-(2-fluoro-phenyl)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid 以 二氯甲烷 为溶剂， 生成 7-((3R,4R)-3,4-Bis-methylamino-pyrrolidin-1-yl)-6-fluoro-1-(2-fluoro-phenyl)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid; compound with trifluoro-acetic acid
  参考文献：
  名称：

  Novel quinolone derivatives as potent antibacterials

  摘要：

  Several 7-(3R,4R-N,N'-dialkyl diaminopyrrolidinyl)-substituted quinolones were synthesized and evaluated for antibacterial activities. 5-Amino-7-(3R,4R-N,N'-dimethyldiamino-6,8-difluoro-1,4-dihydro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid was found to have potent antibacterial activity against gram + ve organisms. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00063-8
• 作为产物：
  描述：

  (3R,4R)-1-Benzyl-N,N'-dimethyl-pyrrolidine-3,4-diamine 在 palladium on activated charcoal 甲酸铵 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成 7-[(3R,4R)-3,4-Bis-(tert-butoxycarbonyl-methyl-amino)-pyrrolidin-1-yl]-6-fluoro-1-(2-fluoro-phenyl)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid
  参考文献：
  名称：

  Novel quinolone derivatives as potent antibacterials

  摘要：

  Several 7-(3R,4R-N,N'-dialkyl diaminopyrrolidinyl)-substituted quinolones were synthesized and evaluated for antibacterial activities. 5-Amino-7-(3R,4R-N,N'-dimethyldiamino-6,8-difluoro-1,4-dihydro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid was found to have potent antibacterial activity against gram + ve organisms. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00063-8