(S)-3-[3-(2-methyloxiranylmethoxy)phenyl]thieno[2,3-d]isoxazole | 330651-34-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: (S)-3-[3-(2-methyloxiranylmethoxy)phenyl]thieno[2,3-d]isoxazole
• 英文别名: 3-[3-[[(2S)-2-methyloxiran-2-yl]methoxy]phenyl]thieno[2,3-d][1,2]oxazole
• CAS: 330651-34-8
• 化学式: C₁₅H₁₃NO₃S
• 分子量: 287.339
• InChiKey: LTXNEFCDSAMULH-OAHLLOKOSA-N

物化性质

• 沸点：
  452.6±30.0 °C(Predicted)
• 密度：
  1.323±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  76
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (S)-3-[3-(2-methyloxiranylmethoxy)phenyl]thieno[2,3-d]isoxazole 、 苄胺 在 lithium tetrafluoroborate 作用下， 以 乙腈 为溶剂， 以49%的产率得到(2S)-(+)-1-benzylamino-2-methyl-3-(3-thieno[2,3-d]isoxazol-3-yl-phenoxy)propan-2-ol
  参考文献：
  名称：

  THIENOISOXAZOLYL AND THIENYLPYRRAZOLYL PHENOXY SUBSTITUTED PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS

  摘要：

  公开号：

  EP1216250B1
• 作为产物：
  描述：

  toluene-4-sulfonic acid (R)-2-hydroxy-2-methyl-3-(3-thieno[2,3-d]isoxazol-3-yl-phenoxy)-propyl ester 在 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 反应 0.5h， 以96%的产率得到(S)-3-[3-(2-methyloxiranylmethoxy)phenyl]thieno[2,3-d]isoxazole
  参考文献：
  名称：

  THIENOISOXAZOLYL AND THIENYLPYRRAZOLYL PHENOXY SUBSTITUTED PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS

  摘要：

  公开号：

  EP1216250B1

文献信息

• Thienoisoxazolyl-and thienylpyrrazolyl-phenoxy substituted propyl derivatives useful as D4 antagonists
  申请人：Aventis Pharmaceuticals Inc.

  公开号：US07125903B1

  公开（公告）日：2006-10-24

  The compounds are of the class thienoisoxazolyl- and thienylpyrrazolyl-phenoxy substituted 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thienoisoxazolyl-和thienylpyrrazolyl-phenoxy取代的丙基衍生物类，可用作D4拮抗剂。这些化合物可用于治疗通过抑制D4受体介导的医疗状况。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。
• THIENOISOXAZOLYL-AND THIENYLPYRRAZOLYL PHENOXY SUBSTITUTED PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS
  申请人：Fink M. David

  公开号：US20070004695A1

  公开（公告）日：2007-01-04

  The compounds are of the class thienoisoxazolyl- and thienylpyrrazolyl-phenoxy substituted propyl 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.

  这些化合物属于类别为噻唑异噁唑基和噻吩吡唑基苯氧基取代的丙基衍生物，可用作D4受体拮抗剂。这些化合物可用于治疗通过抑制D4受体介导的医疗状况。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、迟发性运动障碍、吉尔·德·拉·图雷特综合症、行为障碍和反抗行为障碍。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。
• US7125903B1
  申请人：——

  公开号：US7125903B1

  公开（公告）日：2006-10-24
• US7511046B2
  申请人：——

  公开号：US7511046B2

  公开（公告）日：2009-03-31
• [EN] THIENOISOXAZOLYL- AND THIENYLPYRRAZOLYL-PHENOXY SUBSTITUTED PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS<br/>[FR] DERIVES THIENOISOXAZOLYLE ET THIENYLPYRRAZOLYLE DU PROPYLE A SUBSTITUTION PHENOXY, ANTAGONISTES DU D4
  申请人：AVENTIS PHARMA INC

  公开号：WO2001019833A1

  公开（公告）日：2001-03-22

  The compounds are of the class thienoisoxazolyl- and thienylpyrrazolyl-phenoxy substituted 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.