2-Cyclohexylamino-8,9-difluoro-6-oxo-6H-1-thia-3,3a-diaza-phenalene-5-carboxylic acid | 376370-86-4

• 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: 2-Cyclohexylamino-8,9-difluoro-6-oxo-6H-1-thia-3,3a-diaza-phenalene-5-carboxylic acid
• 英文别名: Mcwpxhpgxbeinx-uhfffaoysa-；3-cyclohexylimino-6,7-difluoro-10-oxo-4-thia-1,2-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
• CAS: 376370-86-4
• 化学式: C₁₇H₁₅F₂N₃O₃S
• 分子量: 379.387
• InChiKey: MCWPXHPGXBEINX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  107
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  四氢吡咯 、 2-Cyclohexylamino-8,9-difluoro-6-oxo-6H-1-thia-3,3a-diaza-phenalene-5-carboxylic acid 在 吡啶 作用下， 反应 3.0h， 以72%的产率得到2-Cyclohexylamino-8-fluoro-6-oxo-9-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 2-(cyclohexylamino)-9,10-difluoro-7-oxo-7H-[1,3,4]thiadiazino[6,5,4-ij]quinoline-6-carboxylate 在 盐酸 、 溶剂黄146 作用下， 反应 3.0h， 以69%的产率得到2-Cyclohexylamino-8,9-difluoro-6-oxo-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

文献信息

• ——
  作者：E. V. Nosova、G. N. Lipunova、L. P. Sidorova、V. N. Charushin

  DOI：10.1023/a:1013152700659

  日期：——

  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.