8-morpholino-7-oxo-2-(pyrrolidin-1-yl)-9,10-difluoro-7H-1,3,4-thiadizino[6,5,4-i,j]quinoline-6-carboxylic acid | 406933-46-8

• 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: 8-morpholino-7-oxo-2-(pyrrolidin-1-yl)-9,10-difluoro-7H-1,3,4-thiadizino[6,5,4-i,j]quinoline-6-carboxylic acid
• 英文别名: 6,7-Difluoro-8-morpholin-4-yl-10-oxo-3-pyrrolidin-1-yl-4-thia-1,2-diazatricyclo[7.3.1.05,13]trideca-2,5,7,9(13),11-pentaene-11-carboxylic acid
• CAS: 406933-46-8
• 化学式: C₁₉H₁₈F₂N₄O₄S
• 分子量: 436.439
• InChiKey: UYKMSKSLJFUBOV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  30
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  111
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  吗啉 、 8-morpholino-7-oxo-2-(pyrrolidin-1-yl)-9,10-difluoro-7H-1,3,4-thiadizino[6,5,4-i,j]quinoline-6-carboxylic acid 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 乙腈 为溶剂， 反应 6.0h， 以83%的产率得到8-Fluoro-7,9-di-morpholin-4-yl-6-oxo-2-pyrrolidin-1-yl-6H-1-thia-3,3a-diaza-phenalene-5-carboxylic acid
  参考文献：
  名称：

  摘要：

  A series of new tricyclic fluoroquinolones was prepared by replacing fluorine atoms in derivatives of 2-R-8-Y-7-oxo-9,10-difluoro-7H-1,3,4-thiadiazino[6,5,4-i]quinoline-6-carboxylic acids. In acids and esters containing a hydrogen atom in position 8 occurred replacement of F-10 by amine rests, and in compounds with a fluorine in position 8 was substituted either F-8 or F-10 and F-8 depending on the amine character.

  DOI：

  10.1023/a:1013152700659
• 作为产物：
  描述：

  ethyl 8,9,10-trifluoro-7-oxo-2-pyrrolidin-1-yl-7H-[1,3,4]thiadiazino[6,5,4-ij]quinoline-6-carboxylate 在 盐酸 、 溶剂黄146 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 乙腈 为溶剂， 反应 4.0h， 生成 8-morpholino-7-oxo-2-(pyrrolidin-1-yl)-9,10-difluoro-7H-1,3,4-thiadizino[6,5,4-i,j]quinoline-6-carboxylic acid
  参考文献：
  名称：

  摘要：

  A series of new tricyclic fluoroquinolones was prepared by replacing fluorine atoms in derivatives of 2-R-8-Y-7-oxo-9,10-difluoro-7H-1,3,4-thiadiazino[6,5,4-i]quinoline-6-carboxylic acids. In acids and esters containing a hydrogen atom in position 8 occurred replacement of F-10 by amine rests, and in compounds with a fluorine in position 8 was substituted either F-8 or F-10 and F-8 depending on the amine character.

  DOI：

  10.1023/a:1013152700659