2-Cyclohexylamino-7,8,9-trifluoro-6-oxo-6H-1-thia-3,3a-diaza-phenalene-5-carboxylic acid | 378764-98-8

• 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: 2-Cyclohexylamino-7,8,9-trifluoro-6-oxo-6H-1-thia-3,3a-diaza-phenalene-5-carboxylic acid
• 英文别名: Isqsobiurlglcu-uhfffaoysa-；3-cyclohexylimino-6,7,8-trifluoro-10-oxo-4-thia-1,2-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid
• CAS: 378764-98-8
• 化学式: C₁₇H₁₄F₃N₃O₃S
• 分子量: 397.378
• InChiKey: ISQSOBIURLGLCU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  27
• 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：
  9

反应信息

• 作为反应物：
  描述：

  四氢吡咯 、 2-Cyclohexylamino-7,8,9-trifluoro-6-oxo-6H-1-thia-3,3a-diaza-phenalene-5-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 2.0h， 以57%的产率得到2-Cyclohexylamino-8-fluoro-6-oxo-7,9-di-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-8,9,10-trifluoro-7-oxo-7H-[1,3,4]oxadiazino[6,5,4-ij]quinoline-6-carboxylate 在 盐酸 、 溶剂黄146 作用下， 反应 3.0h， 以71%的产率得到2-Cyclohexylamino-7,8,9-trifluoro-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.