(2-bromo-ethyl)-(3-fluoro-benzyl)-amine | 330679-42-0

• 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-bromo-ethyl)-(3-fluoro-benzyl)-amine
• 英文别名: (2-Bromo-ethyl)-(3-fluorobenzyl)-amine；2-bromo-N-[(3-fluorophenyl)methyl]ethanamine
• CAS: 330679-42-0
• 化学式: C₉H₁₁BrFN
• mdl: MFCD26968643
• 分子量: 232.095
• InChiKey: TUWIUZPTPKELGG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (2-bromo-ethyl)-(3-fluoro-benzyl)-amine 、 3-thieno[2,3-d]isoxazol-3-yl-phenol sodium salt 以 甲苯 为溶剂， 反应 24.0h， 生成 (3-fluoro-benzyl)-[2-(3-thieno[2,3-d]isoxazol-3-yl-phenoxy)-ethyl]-amine
  参考文献：
  名称：

  THIENOISOXAZOLE PHENOXY UNSUBSTITUTED ETHYL AND PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS

  摘要：

  公开号：

  EP1216249B1
• 作为产物：
  描述：

  3-氟苄胺 、 1,2-二溴乙烷 在 sodium acetate 作用下， 生成 (2-bromo-ethyl)-(3-fluoro-benzyl)-amine
  参考文献：
  名称：

  THIENOISOXAZOLE PHENOXY UNSUBSTITUTED ETHYL AND PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS

  摘要：

  公开号：

  EP1216249B1

文献信息

• Thienoisoxazole phenoxy unsubstituted ethyl and propyl derivatives useful as d4 antagonists
  申请人：Aventis Pharmaceuticals Inc.

  公开号：US07091199B1

  公开（公告）日：2006-08-15

  The compounds are of the class of thienoisoxazole phenoxy unsubstituted ethyl and propyl derivatives, useful as D4 antagonists. Said compounds are useful for the treatment of medical conditions mediated by inhibition of D4 receptor. These conditions comprise, for example, Attention Deficit Hyperactivity Disorder, Obsessive-Compulsive Disorder, Psychoses, Substance Abuse, Substance Dependence, Parkinson's Disease, Parkinsonism, Tardive Diskinesia, Gilles de la Tourette Syndrome, Conduct Disorder, and Oppositional Defiant Disorder. A further aspect of the invention is to provide a pharmaceutical composition, intermediates, and a method of making said class of compounds.

  这些化合物属于噻唑异噁唑苯氧未取代乙基和丙基衍生物类，可用作D4拮抗剂。这些化合物可用于治疗由D4受体抑制介导的医疗状况。这些状况包括，例如，注意力缺陷多动障碍、强迫症、精神病、物质滥用、物质依赖、帕金森病、帕金森综合症、迟发性病态动作、吉尔斯·德·拉·图雷特综合征、行为障碍和反抗行为障碍。本发明的另一个方面是提供一种制药组合物、中间体和制备该类化合物的方法。
• US7091199B1
  申请人：——

  公开号：US7091199B1

  公开（公告）日：2006-08-15
• [EN] THIENOISOXAZOLE PHENOXY UNSUBSTITUTED ETHYL AND PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS<br/>[FR] DERIVES DE PROPYLE ET D'ETHYLE NON SUBSTITUES DE PHENOXY THIENOISOXAZOLE UTILES COMME ANTAGONISTES D4
  申请人：AVENTIS PHARMA INC

  公开号：WO2001019832A2

  公开（公告）日：2001-03-22

  The compounds are of the class of thienoisoxazole phenoxy unsubstituted ethyl and propyl derivatives, useful as D4 antagonists. Said compounds are useful for the treatment of medical conditions mediated by inhibition of D4 receptor. These conditions comprise, for example, Attention Deficit Hyperactivity Disorder, Obsessive-Compulsive Disorder, Psychoses, Substance Abuse, Substance Dependence, Parkinson's Disease, Parkinsonism, Tardive Diskinesia, Gilles de la Tourette Syndrome, Conduct Disorder, and Oppositional Defiant Disorder. A further aspect of the invention is to provide a pharmaceutical composition, intermediates, and a method of making said class of compounds.
• THIENOISOXAZOLE PHENOXY UNSUBSTITUTED ETHYL AND PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS
  申请人：Aventis Pharmaceuticals Inc.

  公开号：EP1216249B1

  公开（公告）日：2003-11-19