1,2,3,4-Tetrafluoro-12H-benzimidazo<2,1-b><1,3>benzothiazin-12-one | 159152-98-4

• 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: 1,2,3,4-Tetrafluoro-12H-benzimidazo<2,1-b><1,3>benzothiazin-12-one
• 英文别名: 1,2,3,4-Tetrafluoro-12H-benzimidazo[2,1-b][1,3]benzothiazin-12-one；1,2,3,4-tetrafluorobenzimidazolo[2,1-b][1,3]benzothiazin-12-one
• CAS: 159152-98-4
• 化学式: C₁₄H₄F₄N₂OS
• mdl: MFCD05259940
• 分子量: 324.258
• InChiKey: IIUYXSVKMWXCSD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  22
• 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：
  7

反应信息

• 作为反应物：
  描述：

  1,2,3,4-Tetrafluoro-12H-benzimidazo<2,1-b><1,3>benzothiazin-12-one 以84%的产率得到
  参考文献：
  名称：

  Dolbier William R., Burkholder Conrad, Abboud Khalil A., Loehle David, J. Org. Chem., 59 (1994) N 25, S 7688-7694

  摘要：

  DOI：
• 作为产物：
  描述：

  1,3-Dihydro-1,3-bis(pentafluorobenzoyl)-2H-benzimidazole-2-thione 在 吡啶 作用下， 生成 1,2,3,4-Tetrafluoro-12H-benzimidazo<2,1-b><1,3>benzothiazin-12-one
  参考文献：
  名称：

  Synthesis of New Tetrafluorobenzo Heteroaromatic Compounds

  摘要：

  The cyclocondensation of pentafluorobenzoyl chloride with 2-mercaptobenzimidazole (6), 2-mercaptoimidazole (10), 2-imidazolidinethione (12), and perimidine-2-thione 15 gave tetrafluorobenzo heterocycles 7, 11, 13, and 16, respectively. In addition, the reaction of 2-mercaptobenzimidazole (6) with pentafluorobenzyl bromide followed by treatment with NaH gave tetrafluorobenzo heterocycle 22.

  DOI：

  10.1021/jo00104a025

文献信息

• ——
  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.
• Dolbier William R., Burkholder Conrad, Abboud Khalil A., Loehle David, J. Org. Chem., 59 (1994) N 25, S 7688-7694
  作者：Dolbier William R., Burkholder Conrad, Abboud Khalil A., Loehle David

  DOI：——

  日期：——
• Synthesis of New Tetrafluorobenzo Heteroaromatic Compounds
  作者：William R. Dolbier、Conrad Burkholder、Khalil A. Abboud、David Loehle

  DOI：10.1021/jo00104a025

  日期：1994.12

  The cyclocondensation of pentafluorobenzoyl chloride with 2-mercaptobenzimidazole (6), 2-mercaptoimidazole (10), 2-imidazolidinethione (12), and perimidine-2-thione 15 gave tetrafluorobenzo heterocycles 7, 11, 13, and 16, respectively. In addition, the reaction of 2-mercaptobenzimidazole (6) with pentafluorobenzyl bromide followed by treatment with NaH gave tetrafluorobenzo heterocycle 22.