ethyl 2-(cyclohexylamino)-9,10-difluoro-7-oxo-7H-[1,3,4]thiadiazino[6,5,4-ij]quinoline-6-carboxylate | 273940-41-3

• 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: ethyl 2-(cyclohexylamino)-9,10-difluoro-7-oxo-7H-[1,3,4]thiadiazino[6,5,4-ij]quinoline-6-carboxylate
• 英文别名: ethyl 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-carboxylate
• CAS: 273940-41-3
• 化学式: C₁₉H₁₉F₂N₃O₃S
• 分子量: 407.441
• InChiKey: UPGYXGXWPJMFFS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  96.3
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  ethyl 2-(cyclohexylamino)-9,10-difluoro-7-oxo-7H-[1,3,4]thiadiazino[6,5,4-ij]quinoline-6-carboxylate 在 吡啶 、 盐酸 、 溶剂黄146 作用下， 反应 6.0h， 生成 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：

  4-环己基-3-硫代氨基脲 以 乙醇 、 甲苯 为溶剂， 反应 2.0h， 生成 ethyl 2-(cyclohexylamino)-9,10-difluoro-7-oxo-7H-[1,3,4]thiadiazino[6,5,4-ij]quinoline-6-carboxylate
  参考文献：
  名称：

  Lipunova; Sidorova; Nosova, Russian Journal of Organic Chemistry, 1999, vol. 35, # 11, p. 1698 - 1705

  摘要：

  DOI：

文献信息

• Lipunova; Sidorova; Nosova, Russian Journal of Organic Chemistry, 1999, vol. 35, # 11, p. 1698 - 1705
  作者：Lipunova、Sidorova、Nosova、Perova、Charushin、Alexandrov

  DOI：——

  日期：——
• ——
  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.