2,2'-dithiobis[5-fluoro-3-phenylquinazolin-4(3H)-one]

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 2,2'-dithiobis[5-fluoro-3-phenylquinazolin-4(3H)-one]
• 英文别名: 5-fluoro-2-[(5-fluoro-4-oxo-3-phenylquinazolin-2-yl)disulfanyl]-3-phenylquinazolin-4-one
• 化学式: C₂₈H₁₆F₂N₄O₂S₂
• 分子量: 542.589
• InChiKey: LBQGWXSMIFLDHH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  38
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  116
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  2-氨基-6-氟苯甲酸 、 苯基硫脲 反应 1.0h， 以70%的产率得到2,2'-dithiobis[5-fluoro-3-phenylquinazolin-4(3H)-one]
  参考文献：
  名称：

  Fluorine-containing heterocycles: XVIII. Monofluoro derivatives of quinazolines and 1,3-benzothiazin-4-ones

  摘要：

  5- and 7-Fluoro-substituted quinazolines and 1,3-benzothiazin-4-ones were synthesized starting from 2-amino-6-fluorobenzonitrile and mono- and difluoro-substituted benzoic acid derivatives. The reactivities of di- and tetrafluoro-substituted benzoyl chlorides and benzoyl isothiocyanates in cyclocondensations leading to fluorinated quinazolines and 1,3-benzothiazines were compared.

  DOI：

  10.1134/s1070428009060189

文献信息

• Fluorine-containing heterocycles: XVIII. Monofluoro derivatives of quinazolines and 1,3-benzothiazin-4-ones
  作者：E. V. Nosova、A. A. Laeva、T. V. Trashakhova、A. V. Golovchenko、G. N. Lipunova、P. A. Slepukhin、V. N. Charushin

  DOI：10.1134/s1070428009060189

  日期：2009.6

  5- and 7-Fluoro-substituted quinazolines and 1,3-benzothiazin-4-ones were synthesized starting from 2-amino-6-fluorobenzonitrile and mono- and difluoro-substituted benzoic acid derivatives. The reactivities of di- and tetrafluoro-substituted benzoyl chlorides and benzoyl isothiocyanates in cyclocondensations leading to fluorinated quinazolines and 1,3-benzothiazines were compared.