4H-3,1-Benzoxazine-4-one, 2-heptafluoropropyl- | 82422-29-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: 4H-3,1-Benzoxazine-4-one, 2-heptafluoropropyl-
• 英文别名: 2-(1,1,2,2,3,3,3-heptafluoropropyl)-3,1-benzoxazin-4-one
• CAS: 82422-29-5
• 化学式: C₁₁H₄F₇NO₂
• 分子量: 315.147
• InChiKey: LEJAJVFLTGIPPE-UHFFFAOYSA-N

物化性质

• 沸点：
  246.9±50.0 °C(Predicted)
• 密度：
  1.59±0.1 g/cm3(Predicted)
• 保留指数：
  1266

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  38.7
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  4H-3,1-Benzoxazine-4-one, 2-heptafluoropropyl- 、 苯胺 反应 4.0h， 生成 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-N-phenylbenzamide
  参考文献：
  名称：

  Etude du comportement de benzoxazinones, substituées en position 2 par des groupements (per)halogénés, vis-á-vis de l'aniline

  摘要：

  This study describes firstly the synthesis of benzoxazinones substituted in position 2 by halogenated groups such as -(CH2)n-R(F, Cl) where n = 0, 1 and 2 and R(F, Cl) is a perhalogenated group, and secondly the reaction of these new benzoxazinones with aniline, in different media.Thus it is shown that the behaviour of trifluoromethyl-2-benzoxazinone towards aniline is different, in most cases, in comparison with benzoxazinones substituted by perfluorinated groups CnF2n+1 with n = 2, 3 and 7. Under certain conditions (hot ethanol and aniline with triphenyl phosphite), it is observed that nucleophilic attack of aniline only occurs on the carbonyl group when benzoxazinones are substituted by an electron-withdrawing group such as C2F5, C3F7 and C7F15.

  DOI：

  10.1016/s0022-1139(00)82790-6
• 作为产物：
  描述：

  靛红酸酐 、 七氟丁酰氯 在 吡啶 作用下， 反应 2.0h， 以94%的产率得到4H-3,1-Benzoxazine-4-one, 2-heptafluoropropyl-
  参考文献：
  名称：

  Etude du comportement de benzoxazinones, substituées en position 2 par des groupements (per)halogénés, vis-á-vis de l'aniline

  摘要：

  This study describes firstly the synthesis of benzoxazinones substituted in position 2 by halogenated groups such as -(CH2)n-R(F, Cl) where n = 0, 1 and 2 and R(F, Cl) is a perhalogenated group, and secondly the reaction of these new benzoxazinones with aniline, in different media.Thus it is shown that the behaviour of trifluoromethyl-2-benzoxazinone towards aniline is different, in most cases, in comparison with benzoxazinones substituted by perfluorinated groups CnF2n+1 with n = 2, 3 and 7. Under certain conditions (hot ethanol and aniline with triphenyl phosphite), it is observed that nucleophilic attack of aniline only occurs on the carbonyl group when benzoxazinones are substituted by an electron-withdrawing group such as C2F5, C3F7 and C7F15.

  DOI：

  10.1016/s0022-1139(00)82790-6

文献信息

• USE OF CALPAIN INHIBITORS IN THE INHIBITION AND TREATMENT OF NEURODEGENERATION
  申请人：CORTEX PHARMACEUTICALS, INC.

  公开号：EP0564552A1

  公开（公告）日：1993-10-13
• USE OF CALPAIN INHIBITORS IN THE INHIBITION AND TREATMENT OF MEDICAL CONDITIONS ASSOCIATED WITH INCREASED CALPAIN ACTIVITY
  申请人：CORTEX PHARMACEUTICALS, INC.

  公开号：EP0650368A1

  公开（公告）日：1995-05-03
• US4585793A
  申请人：——

  公开号：US4585793A

  公开（公告）日：1986-04-29
• US4847202A
  申请人：——

  公开号：US4847202A

  公开（公告）日：1989-07-11
• US5444042A
  申请人：——

  公开号：US5444042A

  公开（公告）日：1995-08-22