2,3,4-trifluoro-6a,10a-dihydro-12H-benzo[e]benzo[4,5]imidazo[2,1-b][1,3]thiazin-12-one | 639088-53-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻嗪类
• 英文名称: 2,3,4-trifluoro-6a,10a-dihydro-12H-benzo[e]benzo[4,5]imidazo[2,1-b][1,3]thiazin-12-one
• 英文别名: 2,3,4-trifluoro-12H-[1,3]benzimidazo[2,1-b][1,3]benzothiazin-12-one；2,3,4-trifluorobenzimidazolo[2,1-b][1,3]benzothiazin-12-one
• CAS: 639088-53-2
• 化学式: C₁₄H₅F₃N₂OS
• mdl: MFCD05260450
• 分子量: 306.268
• InChiKey: REQGBYIHIIFISZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  21
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  60.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N,N-二甲基-1,3-二氨基丙烷 、 2,3,4-trifluoro-6a,10a-dihydro-12H-benzo[e]benzo[4,5]imidazo[2,1-b][1,3]thiazin-12-one 以 N,N-二甲基甲酰胺 为溶剂， 反应 5.0h， 以79%的产率得到
  参考文献：
  名称：

  摘要：

  The heating of derivatives of benzimidazole-2-thione and imidazolidine-2-thione with tetra- (penta)fluorobenzoyl chlorides in toluene or pyridine gave rise to fluorocontaining derivatives of imidazo[2,1-b][1,3]benzothiazine. The latter were studied in reactions of nucleophilic substitution of fluorine for amino groups.

  DOI：

  10.1023/a:1025548505109
• 作为产物：
  描述：

  2,3,4,5-四氟苯甲酸 在 氯化亚砜 作用下， 以 甲苯 为溶剂， 反应 2.0h， 生成 2,3,4-trifluoro-6a,10a-dihydro-12H-benzo[e]benzo[4,5]imidazo[2,1-b][1,3]thiazin-12-one
  参考文献：
  名称：

  摘要：

  The heating of derivatives of benzimidazole-2-thione and imidazolidine-2-thione with tetra- (penta)fluorobenzoyl chlorides in toluene or pyridine gave rise to fluorocontaining derivatives of imidazo[2,1-b][1,3]benzothiazine. The latter were studied in reactions of nucleophilic substitution of fluorine for amino groups.

  DOI：

  10.1023/a:1025548505109

文献信息

• Fluorine-containing heterocycles: XVII. (Tetrafluorobrnzoyl)thioureas in the synthesis of fluorine-containing azaheterocycles
  作者：G. N. Lipunova、E. V. Nosova、A. A. Laeva、T. V. Trashakhova、P. A. Slepukhin、V. N. Charushin

  DOI：10.1134/s1070428008050199

  日期：2008.5

  Proceeding from (tetrafluorobenzoyl)thioureas fluorine-containing derivatives were synthesized of 1-aryl-2-ethylthioquinazolin-4-one, [1,3]benzothiazin-4-one, and also of thiazolidine and 1H-1,2,4-triazole.
• ——
  作者：G. N. Lipunova、E. V. Nosova、G. A. Mokrushina、E. G. Ogloblina、G. G. Aleksandrov、V. N. Charushin

  DOI：10.1023/a:1025548505109

  日期：——

  The heating of derivatives of benzimidazole-2-thione and imidazolidine-2-thione with tetra- (penta)fluorobenzoyl chlorides in toluene or pyridine gave rise to fluorocontaining derivatives of imidazo[2,1-b][1,3]benzothiazine. The latter were studied in reactions of nucleophilic substitution of fluorine for amino groups.