1-cyclopropyl-6,8-difluoro-7-(2-methyl-4,6-dihydro-5H-pyrrolo<3,4-d>thiazol-5-yl)-1,4-dihydro-4-oxoquinolin-3-carboxylic acid

• 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: 1-cyclopropyl-6,8-difluoro-7-(2-methyl-4,6-dihydro-5H-pyrrolo<3,4-d>thiazol-5-yl)-1,4-dihydro-4-oxoquinolin-3-carboxylic acid
• 英文别名: 1-Cyclopropyl-6,8-difluoro-7-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-4-oxoquinoline-3-carboxylic acid
• 化学式: C₁₉H₁₅F₂N₃O₃S
• 分子量: 403.409
• InChiKey: BHLSWCMZWFABTR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  28
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  102
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  2-methyl-5-(toluene-4-sulfonyl)-4,6-dihydro-5H-pyrrolo<3,4-d>thiazole 在 氢溴酸 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 苯酚 作用下， 以 乙腈 为溶剂， 反应 3.0h， 生成 1-cyclopropyl-6,8-difluoro-7-(2-methyl-4,6-dihydro-5H-pyrrolo<3,4-d>thiazol-5-yl)-1,4-dihydro-4-oxoquinolin-3-carboxylic acid
  参考文献：
  名称：

  Synthesis and Antibacterial Activity of 1-Cyclopropyl-6,8-difluoro-7-(2-substituted 4,6-dihydro-1H-pyrrolo[3,4-d]thiazol-5-yl)-1,4-dihydro-4-oxoquinoline-3-carboxylic Acid

  摘要：

  Quinolone derivatives (9 and 10) substituted with bicyclothiazole (7) and (8) at C-7 position were synthesized. Bicyclothiazole derivatives (7 and 8) were prepared through 9 steps by way of the 4-bromo-3-oxopyrrolidine (16) was a key intermediate and introduced into the title compounds as new C-7 substituents. In vitro antibacterial activity of 9 and 10 was also reported.

  DOI：

  10.3987/com-94-6916

文献信息

• Synthesis and Antibacterial Activity of 1-Cyclopropyl-6,8-difluoro-7-(2-substituted 4,6-dihydro-1H-pyrrolo[3,4-d]thiazol-5-yl)-1,4-dihydro-4-oxoquinoline-3-carboxylic Acid
  作者：Wan-Joo Kim、Bong-Jin Kim、Tae-Suk Lee、Keun-Soo Nam、Keun-Jae Kim

  DOI：10.3987/com-94-6916

  日期：——

  Quinolone derivatives (9 and 10) substituted with bicyclothiazole (7) and (8) at C-7 position were synthesized. Bicyclothiazole derivatives (7 and 8) were prepared through 9 steps by way of the 4-bromo-3-oxopyrrolidine (16) was a key intermediate and introduced into the title compounds as new C-7 substituents. In vitro antibacterial activity of 9 and 10 was also reported.