ethyl 2-cyclohexylamino-8,9,10-trifluoro-7-oxo-7H-[1,3,4]oxadiazino[6,5,4-ij]quinoline-6-carboxylate | 273940-42-4

• 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: ethyl 2-cyclohexylamino-8,9,10-trifluoro-7-oxo-7H-[1,3,4]oxadiazino[6,5,4-ij]quinoline-6-carboxylate
• 英文别名: Ethyl 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-carboxylate；ethyl 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-carboxylate
• CAS: 273940-42-4
• 化学式: C₁₉H₁₈F₃N₃O₃S
• 分子量: 425.431
• InChiKey: WEHLAXGUSKPNRL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  29
• 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：
  9

反应信息

• 作为反应物：
  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
• 作为产物：
  描述：

  4-环己基-3-硫代氨基脲 以 乙醇 、 苯 为溶剂， 反应 2.5h， 生成 ethyl 2-cyclohexylamino-8,9,10-trifluoro-7-oxo-7H-[1,3,4]oxadiazino[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

• ——
  作者：G. N. Lipunova、E. V. Nosova、L. P. Sidorova、V. N. Charushin、O. M. Chasovskikh、A. V. Tkachev

  DOI：10.1023/a:1022523915232

  日期：——

  Depending on the conditions, 3-(4-R-thiosernicarbazido)-2-polyfluorobenzoylacrylates can be converted into the corresponding potassium salts, [1,3,4]thiadiazino[6,5,4-ij]quinolines, and pyrazole or 1,3,4-thiadiazole derivatives.
• 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.