(S)-6-fluoro-3-(4-oxiranylmethoxy-phenyl)-benzo[d]isoxazole | 330670-87-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并异恶唑
• 英文名称: (S)-6-fluoro-3-(4-oxiranylmethoxy-phenyl)-benzo[d]isoxazole
• 英文别名: 6-fluoro-3-[4-[[(2S)-oxiran-2-yl]methoxy]phenyl]-1,2-benzoxazole
• CAS: 330670-87-6
• 化学式: C₁₆H₁₂FNO₃
• 分子量: 285.275
• InChiKey: XESPQPDSUJNMFV-CYBMUJFWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  47.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (S)-6-fluoro-3-(4-oxiranylmethoxy-phenyl)-benzo[d]isoxazole 以 乙醇 为溶剂， 以76.5%的产率得到(S)-1-[4-(6-fluoro-benzo[d]isoxazol-3-yl)-phenoxy]-3-[(thiophen-3-ylmethyl)-amino]-propan-2-ol
  参考文献：
  名称：

  Benzisoxazolyl-, pyridoisoxazolyl- and benzthienyl-phenoxy derivatives useful as D4 antagonists

  摘要：

  公开号：

  EP1216244B1
• 作为产物：
  描述：

  3-(6-fluoro-benzo[d]isoxazol-3-yl)-phenol 、 (S)-(+)-对甲苯磺酸缩水甘油酯 以 N-甲基乙酰胺 、 (2S)-N-methyl-1-phenylpropan-2-amine hydrate 、 水 、 mineral oil 为溶剂， 以92%的产率得到(S)-6-fluoro-3-(4-oxiranylmethoxy-phenyl)-benzo[d]isoxazole
  参考文献：
  名称：

  Benzisoxazolyl-, pyridoisoxazolyl- and benzthienyl-phenoxy derivatives useful as D4 antagonists

  摘要：

  公开号：

  EP1216244B1

文献信息

• Benzisoxazolyl-,pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists
  申请人：Shutske M. Gregory

  公开号：US20050107377A1

  公开（公告）日：2005-05-19

  The compounds are of the class of benzisoxazolyl-, pyridoisoxazolyl- and benzthienyl-phenoxy derivatives, useful as D 4 antagonists. Said compounds are useful for the treatment of medical conditions mediated by inhibition of D 4 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.

  这些化合物属于苯并异噁唑基、吡啶异噁唑基和苯并噻吩基苯氧基衍生物类，可用作D4拮抗剂。这些化合物可用于治疗由D4受体抑制引起的医疗状况，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、迟发性运动障碍、图雷特综合症、行为障碍和反抗性障碍等。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。
• Benzisoxazolyl-, pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists
  申请人：Aventis Pharmaceuticals Inc.

  公开号：US07253165B2

  公开（公告）日：2007-08-07

  The compounds are of the class of benzisoxazolyl-, pyridoisoxazolyl- and benzthienyl-phenoxy 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.

  这些化合物属于苯并异噁唑基、吡啶并异噁唑基和苯并噻吩基苯氧衍生物类，可作为D4拮抗剂使用。这些化合物可用于治疗由D4受体抑制引起的医疗状况。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、迟发性运动障碍、吉尔斯-德-拉-图雷综合症、行为障碍和反抗性障碍。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。
• BENZISOXAZOLYL-, PYRIDOISOXAZOLYL- AND BENZTHIENYL-PHENOXY DERIVATIVES USEFUL AS D 4? ANTAGONISTS
  申请人：Aventis Pharmaceuticals Inc.

  公开号：EP1216244A1

  公开（公告）日：2002-06-26
• US7253165B2
  申请人：——

  公开号：US7253165B2

  公开（公告）日：2007-08-07
• [EN] BENZISOXAZOLYL-, PYRIDOISOXAZOLYL- AND BENZTHIENYL-PHENOXY DERIVATIVES USEFUL AS D4 ANTAGONISTS<br/>[FR] DERIVES BENZISOXAZOLYLE, PYRIDOISOXAZOLYLE- ET BENZTHIENYLE DU PROPYLE A SUBSTITUTION PHENOXY, ANTAGONISTES DU D4
  申请人：AVENTIS PHARMA INC

  公开号：WO2001019821A1

  公开（公告）日：2001-03-22

  The compounds are of the class of benzisoxazolyl-, pyridoisoxazolyl- and benzthienyl-phenoxy 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.