6-chloro-4-fluoro-1-(4-piperidinyl)-1,3-dihydro-2H-benzimidazol-2-one hydrochloride | 932373-64-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并吡啶类
• 英文名称: 6-chloro-4-fluoro-1-(4-piperidinyl)-1,3-dihydro-2H-benzimidazol-2-one hydrochloride
• 英文别名: 5-chloro-7-fluoro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride
• CAS: 932373-64-3
• 化学式: C₁₂H₁₃ClFN₃O*ClH
• 分子量: 306.167
• InChiKey: DASKXADFUYTWTK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.47
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  44.4
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  四氢吡喃酮 、 6-chloro-4-fluoro-1-(4-piperidinyl)-1,3-dihydro-2H-benzimidazol-2-one hydrochloride 在 三乙酰氧基硼氢化钠 、 三乙胺 、 sodium hydroxide 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 4.0h， 以11%的产率得到6-chloro-4-fluoro-1-[1-(tetrahydro-2H-pyran-4-yl)-4-piperidinyl]-1,3-dihydro-2H-benzimidazol-2-one
  参考文献：
  名称：

  WO2007/36715

  摘要：

  公开号：
• 作为产物：
  描述：

  1,1-dimethylethyI4-(6-chloro-4-fluoro-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-1-piperidinecarboxylate 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 反应 2.0h， 生成 6-chloro-4-fluoro-1-(4-piperidinyl)-1,3-dihydro-2H-benzimidazol-2-one hydrochloride
  参考文献：
  名称：

  WO2007/36715

  摘要：

  公开号：

文献信息

• Compounds which have activity at M1 receptor and their uses in medicine.
  申请人：Budzik Brian

  公开号：US20080058378A1

  公开（公告）日：2008-03-06

  Compounds of formula (I) and salts and solvates are provided: wherein R 4 is fluoro, R 5 is selected from hydrogen, halogen, cyano, C 1-6 alkyl, C 1-6 alkyl substituted with one or more fluorine atoms, C 1-6 alkoxy, and C 1-6 alkoxy substituted with one or more fluorine atoms; and R 6 is selected from halogen, cyano, C 1-6 alkyl, C 1-6 alkyl substituted with one or more fluorine atoms, C 3-6 cycloalkyl, C 3-6 cycloalkyl substituted with one or more fluorine atoms, C 1-6 alkoxy and C 1-6 alkoxy substituted with one or more fluorine atoms, and Q is hydrogen or C 1-6 alkyl. The compounds are expected to be useful for therapy, for example in the treatment of psychotic disorders and cognitive impairment.

  提供了式(I)的化合物及其盐和溶剂化物： 其中R4为氟，R5选自氢、卤素、氰基、C1-6烷基、一种或多种氟原子取代的C1-6烷基、C1-6烷氧基和一种或多种氟原子取代的C1-6烷氧基；R6选自卤素、氰基、C1-6烷基、一种或多种氟原子取代的C1-6烷基、C3-6环烷基、一种或多种氟原子取代的C3-6环烷基、C1-6烷氧基和一种或多种氟原子取代的C1-6烷氧基，Q为氢或C1-6烷基。这些化合物预计在治疗方面有用，例如在治疗精神障碍和认知障碍方面。
• Compounds Which Have Activity at M1 Receptor and Their Uses in Medicine
  申请人：Budzik Brian

  公开号：US20080255195A1

  公开（公告）日：2008-10-16

  Compounds of formula (I) and salts are provided: wherein R 4 is fluoro, R 5 is selected from hydrogen, halogen, cyano, C 1-6 alkyl, C 1-6 alkyl substituted with one or more fluorine atoms, C 1-6 alkoxy, and C 1-6 alkoxy substituted with one or more fluorine atoms; and R 6 is selected from halogen, cyano, C 1-6 alkyl, C 1-6 alkyl substituted with one or more fluorine atoms, C 3-6 cycloalkyl, C 3-6 cycloalkyl substituted with one or more fluorine atoms, C 1-6 alkoxy and C 1-6 alkoxy substituted with one or more fluorine atoms, and Q is hydrogen or C 1-6 alkyl. The compounds are expected to be useful for therapy, for example in the treatment of psychotic disorders and cognitive impairment.

  提供了化学式（I）和盐的化合物：其中R4为氟，R5从氢，卤素，氰基，C1-6烷基，C1-6烷基取代物，其中取代了一个或多个氟原子，C1-6烷氧基和C1-6烷氧基取代物中选择; R6从卤素，氰基，C1-6烷基，C1-6烷基取代物中选择，其中取代了一个或多个氟原子，C3-6环烷基，C3-6环烷基取代物中选择一个或多个氟原子，C1-6烷氧基和C1-6烷氧基取代物，Q为氢或C1-6烷基。预计这些化合物在治疗中会有用，例如在治疗精神障碍和认知障碍方面。
• Compounds which have activity at M1 receptor and their uses in medicine
  申请人：Glaxo Group Limited

  公开号：US08283364B2

  公开（公告）日：2012-10-09

  Compounds of formula (I) and salts are provided: wherein R4 is fluoro, R5 is selected from hydrogen, halogen, cyano, C1-6alkyl, C1-6alkyl substituted with one or more fluorine atoms, C1-6alkoxy, and C1-6alkoxy substituted with one or more fluorine atoms; and R6 is selected from halogen, cyano, C1-6alkyl, C1-6alkyl substituted with one or more fluorine atoms, C3-6cycloalkyl, C3-6cycloalkyl substituted with one or more fluorine atoms, C1-6alkoxy and C1-6alkoxy substituted with one or more fluorine atoms, and Q is hydrogen or C1-6alkyl. The compounds are expected to be useful for therapy, for example in the treatment of psychotic disorders and cognitive impairment.

  提供了公式（I）和盐的化合物：其中R4为氟，R5选择自氢，卤素，氰基，C1-6烷基，C1-6烷基取代一个或多个氟原子，C1-6烷氧基和C1-6烷氧基取代一个或多个氟原子; R6选择自卤素，氰基，C1-6烷基，C1-6烷基取代一个或多个氟原子，C3-6环烷基，C3-6环烷基取代一个或多个氟原子，C1-6烷氧基和C1-6烷氧基取代一个或多个氟原子，Q为氢或C1-6烷基。这些化合物预计在治疗中有用，例如用于治疗精神障碍和认知障碍。
• COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE
  申请人：GLAXO GROUP LIMITED

  公开号：EP1943230B1

  公开（公告）日：2010-12-22
• US8283364B2
  申请人：——

  公开号：US8283364B2

  公开（公告）日：2012-10-09