(S)-3-[(3-chloro-4-fluorophenyl)pyridin-3-ylamino]pyrrolidine-1-carboxylic acid tert-butyl ester | 915002-01-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: (S)-3-[(3-chloro-4-fluorophenyl)pyridin-3-ylamino]pyrrolidine-1-carboxylic acid tert-butyl ester
• 英文别名: 3(S)-[(3-chloro-4-fluorophenyl)pyridin-3-ylamino]pyrrolidine-1-carboxylic acid tert-butyl ester；tert-butyl (3S)-3-(3-chloro-4-fluoro-N-pyridin-3-ylanilino)pyrrolidine-1-carboxylate
• CAS: 915002-01-6
• 化学式: C₂₀H₂₃ClFN₃O₂
• 分子量: 391.873
• InChiKey: GDDPZAZWWHGCKQ-INIZCTEOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  45.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (S)-3-[(3-chloro-4-fluorophenyl)pyridin-3-ylamino]pyrrolidine-1-carboxylic acid tert-butyl ester 在 三氟乙酸 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 3.0h， 生成 (3-chloro-4-fluorophenyl)pyridin-3-yl-(S)-pyrrolidin-3-ylamine dimethanesulfonate
  参考文献：
  名称：

  WO2006/121218

  摘要：

  公开号：
• 作为产物：
  描述：

  3-氯-4-氟溴苯 在 palladium diacetate 、 R-(+)-1,1'-联萘-2,2'-双二苯膦 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 sodium t-butanolate 作用下， 以 甲苯 为溶剂， 反应 17.0h， 生成 (S)-3-[(3-chloro-4-fluorophenyl)pyridin-3-ylamino]pyrrolidine-1-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  WO2006/121218

  摘要：

  公开号：

文献信息

• N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS
  申请人：Kurimura Muneaki

  公开号：US20090088406A1

  公开（公告）日：2009-04-02

  The present invention provides a pyrrolidine compound of General Formula (1) or a salt thereof, wherein R 101 and R 102 are each independently a phenyl group or a pyridyl group, the phenyl group or the pyridyl group may have one or more substituents selected from halogen atoms and lower alkyl groups optionally substituted with one or more halogen atoms, etc. The pyrrolidine compound or a salt thereof of the present invention is usable to produce a pharmaceutical preparation having a wider therapeutic spectrum and being capable of exhibiting sufficient therapeutic effects after short-term administration.

  本发明提供了一种吡咯烷化合物，其一般式为（1），或其盐，其中R101和R102分别是苯基或吡啶基，苯基或吡啶基可以具有一个或多个卤原子和低碳基团，可选地取代一个或多个卤原子等。本发明的吡咯烷化合物或其盐可用于制备具有更广泛治疗谱并能够在短期内展现足够治疗效果的药物制剂。
• N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors
  申请人：Otsuka Pharmaceutical Co., Ltd.

  公开号：US08084442B2

  公开（公告）日：2011-12-27

  The present invention provides a pyrrolidine compound of General Formula (1) or a salt thereof, wherein R101 and R102 are each independently a phenyl group or a pyridyl group, the phenyl group or the pyridyl group may have one or more substituents selected from halogen atoms and lower alkyl groups optionally substituted with one or more halogen atoms, etc. The pyrrolidine compound or a salt thereof of the present invention is usable to produce a pharmaceutical preparation having a wider therapeutic spectrum and being capable of exhibiting sufficient therapeutic effects after short-term administration.

  本发明提供了一种吡咯烷化合物通式（1）或其盐，其中R101和R102各自独立地是苯基或吡啶基，所述苯基或吡啶基可以具有一个或多个卤素原子和选择性地取代一个或多个卤素原子的较低烷基基团等取代基。本发明的吡咯烷化合物或其盐可用于制备具有更广泛治疗谱和能够在短期内展现足够治疗效果的制药配制物。
• N-N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS
  申请人：KURIMURA Muneaki

  公开号：US20120065162A1

  公开（公告）日：2012-03-15

  The present invention provides a pyrrolidine compound of General Formula (1) or a salt thereof, wherein R 101 and R 102 are each independently a phenyl group or a pyridyl group, the phenyl group or the pyridyl group may have one or more substituents selected from halogen atoms and lower alkyl groups optionally substituted with one or more halogen atoms, etc. The pyrrolidine compound or a salt thereof of the present invention is usable to produce a pharmaceutical preparation having a wider therapeutic spectrum and being capable of exhibiting sufficient therapeutic effects after short-term administration.

  本发明提供了一种吡咯烷化合物通式（1）或其盐，其中R101和R102各自独立地为苯基或吡啶基，所述苯基或吡啶基可以具有一个或多个卤素原子和低碳基团中的一个或多个卤素原子等取代基。本发明的吡咯烷化合物或其盐可用于制备具有更广泛治疗谱并能够在短期内展现足够治疗效果的药物制剂。
• N, N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors
  申请人：Kurimura Muneaki

  公开号：US08420623B2

  公开（公告）日：2013-04-16

  The present invention provides a pyrrolidine compound of General Formula (1) or a salt thereof, wherein R101 and R102 are each independently a phenyl group or a pyridyl group, the phenyl group or the pyridyl group may have one or more substituents selected from halogen atoms and lower alkyl groups optionally substituted with one or more halogen atoms, etc. The pyrrolidine compound or a salt thereof of the present invention is usable to produce a pharmaceutical preparation having a wider therapeutic spectrum and being capable of exhibiting sufficient therapeutic effects after short-term administration.

  本发明提供了一种吡咯烷化合物（1）或其盐，其中R101和R102各自独立地是苯基或吡啶基，苯基或吡啶基可以具有一个或多个卤素原子和低碳基团，该低碳基团可以选择性地被一个或多个卤素原子取代等。本发明的吡咯烷化合物或其盐可用于制备具有更广泛治疗谱和能够在短期内展现足够治疗效果的药物制剂。
• US8084442B2
  申请人：——

  公开号：US8084442B2

  公开（公告）日：2011-12-27