2-(Benzylamino)-5-fluoro-4-methoxybenzophenone | 1178859-07-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(Benzylamino)-5-fluoro-4-methoxybenzophenone
• 英文别名: [2-(Benzylamino)-5-fluoro-4-methoxyphenyl]-phenylmethanone
• CAS: 1178859-07-8
• 化学式: C₂₁H₁₈FNO₂
• 分子量: 335.378
• InChiKey: IWHHSIAHWCCIKH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2,5-Difluoro-4-methoxybenzophenone 、 苄胺 反应 168.0h， 以43%的产率得到2-(Benzylamino)-5-fluoro-4-methoxybenzophenone
  参考文献：
  名称：

  Process for preparing pyrazole functionalized benzodiazepinones

  摘要：

  本发明提供了合成吡唑环功能化苯并二氮杂卓酮的创新策略。形成α-氨基二苯甲酮中间体的替代中间体和高转化策略涉及芳香酰化、用胺置换电负性离去基团以及随后采用N-置换策略以产生具有初级胺功能的所需α-氨基二苯甲酮。随后提供了将α-氨基二苯甲酮转化为高产率且反应条件便利的α-氨基酰胺二苯甲酮中间体的反应策略。这些α-氨基酰胺二苯甲酮中间体随后被转化为苯并二氮杂卓酮。这些苯并二氮杂卓酮通过一系列创新的中间体和/或反应策略转化为吡唑环功能化的苯并二氮杂卓酮。

  公开号：

  US20090203901A1

文献信息

• [EN] PROCESS FOR PREPARING PYRAZOLE FUNCTIONALIZED BENZODIAZEPINONES<br/>[FR] PROCÉDÉ DE PRÉPARATION DE BENZODIAZÉPINONES À FONCTION PYRAZOLE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2009100996A2

  公开（公告）日：2009-08-20

  The present invention provides innovative strategies for synthesizing pyrazole ring- functionalized benzodiazepinones. Alternative intermediates and high conversion strategies for forming alpha-aminobenzophenone intermediates involve a combination of aromatic acylation, displacement of electronegative leaving groups with amine, and then N-displacement strategies to produce the desired alpha-aminobenzophenone with primary amine functionality. Reaction strategies are then provided for converting alpha-aminobenzophenones to alpha- amino amidobenzophenone intermediates with high yield and convenient reaction strategies. These alpha-aminoamidobenzophenone intermediates are then converted into benzodiazepinones. These benzodiazepinones are then converted to pyrazole ring functionalized benzodiazepinones through a series of innovative intermediates and/or reaction strategies.
• Process for preparing pyrazole functionalized benzodiazepinones
  申请人：Harrington Peter J.

  公开号：US20090203901A1

  公开（公告）日：2009-08-13

  The present invention provides innovative strategies for synthesizing pyrazole ring-functionalized benzodiazepinones. Alternative intermediates and high conversion strategies for forming alpha-aminobenzophenone intermediates involve a combination of aromatic acylation, displacement of electronegative leaving groups with amine, and then N-displacement strategies to produce the desired alpha-aminobenzophenone with primary amine functionality. Reaction strategies are then provided for converting alpha-aminobenzophenones to alpha-aminoamidobenzophenone intermediates with high yield and convenient reaction strategies. These alpha-aminoamidobenzophenone intermediates are then converted into benzodiazepinones. These benzodiazepinones are then converted to pyrazole ring functionalized benzodiazepinones through a series of innovative intermediates and/or reaction strategies.

  本发明提供了合成吡唑环功能化苯并二氮杂卓酮的创新策略。形成α-氨基二苯甲酮中间体的替代中间体和高转化策略涉及芳香酰化、用胺置换电负性离去基团以及随后采用N-置换策略以产生具有初级胺功能的所需α-氨基二苯甲酮。随后提供了将α-氨基二苯甲酮转化为高产率且反应条件便利的α-氨基酰胺二苯甲酮中间体的反应策略。这些α-氨基酰胺二苯甲酮中间体随后被转化为苯并二氮杂卓酮。这些苯并二氮杂卓酮通过一系列创新的中间体和/或反应策略转化为吡唑环功能化的苯并二氮杂卓酮。