N-benzyl-3-chloro-N-(2-methylallyl)-1,2-dihydrocyclobutabenzene-1-carboxamide | 1242657-42-6

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 芳基卤化物
• 英文名称: N-benzyl-3-chloro-N-(2-methylallyl)-1,2-dihydrocyclobutabenzene-1-carboxamide
• 英文别名: N-benzyl-2-chloro-N-(2-methylprop-2-enyl)bicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxamide
• CAS: 1242657-42-6
• 化学式: C₂₀H₂₀ClNO
• 分子量: 325.838
• InChiKey: DPCBXRWSLWERBQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  N-benzyl-3-chloro-N-(2-methylallyl)-1,2-dihydrocyclobutabenzene-1-carboxamide 在 溴苯 作用下， 以 溴苯 为溶剂， 反应 0.5h， 以to afford trans-2-benzyl-6-chloro-3a-methyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]isoindol-1-one (221 mg, 12% yield)的产率得到trans-2-benzyl-6-chloro-3a-methyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]isoindol-1-one
  参考文献：
  名称：

  TRICYCLIC HETEROCYCLIC DERIVATIVES

  摘要：

  本发明涉及一种三环杂环衍生物，其符合公式（I）中定义的变量，或其药学上可接受的盐或溶剂。本发明还涉及包含所述三环杂环衍生物的制药组合物，以及它们在治疗中的用途，例如在治疗或预防血清素介导的疾病，如肥胖症方面的应用。

  公开号：

  US20120232122A1
• 作为产物：
  描述：

  N-苄基-2-甲基-2-丙烯-1-胺 、 2-chlorobicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic acid 在 1-丙基磷酸酐 、 三乙胺 作用下， 反应 16.0h， 以97%的产率得到N-benzyl-3-chloro-N-(2-methylallyl)-1,2-dihydrocyclobutabenzene-1-carboxamide
  参考文献：
  名称：

  Stereoselective synthesis of tetrahydro-2H-[2]benzopyrano[3,4-c]pyrrol-3-ones and related compounds as precursors of serotonin 5-HT2C receptor agonists

  摘要：

  Tetrahydro-2H-[2]benzopyrano[3,4-c]pyrrol-3-ones and the related 3a-methyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]isoindole analogues were synthesised by an intramolecular Diels-Alder reaction. The observed stereoselectivity was dependent upon the nature of the tethered dienophile as well as the judicious placement of the amide. (C) 2011 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2011.03.053

文献信息

• TRICYCLIC HETEROCYCLIC DERIVATIVES
  申请人：Davies Keneth

  公开号：US20120232122A1

  公开（公告）日：2012-09-13

  The present invention relates to a tricyclic heterocyclic derivative according to Formula (I), wherein the variables are defined as in the specification, or to a pharmaceutically acceptable salt or solvate thereof. The present invention also relates to pharmaceutical compositions comprising said tricyclic heterocyclic derivatives and to their use in therapy, for instance in the treatment or prevention of serotonin mediated disorders, such as obesity.

  本发明涉及一种三环杂环衍生物，其符合公式（I）中定义的变量，或其药学上可接受的盐或溶剂。本发明还涉及包含所述三环杂环衍生物的制药组合物，以及它们在治疗中的用途，例如在治疗或预防血清素介导的疾病，如肥胖症方面的应用。
• US8729274B2
  申请人：——

  公开号：US8729274B2

  公开（公告）日：2014-05-20
• [EN] TRICYCLIC HETEROCYCLIC DERIVATIVES<br/>[FR] DÉRIVÉS HÉTÉROCYCLIQUES TRICYCLIQUES
  申请人：ORGANON NV

  公开号：WO2010103001A1

  公开（公告）日：2010-09-16

  The present invention relates to a tricyclic heterocyclic derivative according to Formula (I), wherein the variables are defined as in the specification, or to a pharmaceutically acceptable salt or solvate thereof. The present invention also relates to pharmaceutical compositions comprising said tricyclic heterocyclic derivatives and to their use in therapy, for instance in the treatment or prevention of serotonin mediated disorders, such as obesity.
• Stereoselective synthesis of tetrahydro-2H-[2]benzopyrano[3,4-c]pyrrol-3-ones and related compounds as precursors of serotonin 5-HT2C receptor agonists
  作者：Stuart Francis、Takao Kiyoi、Mark Reid、Keneth Davies、Steven Laats、Duncan McArthur、Helen Feilden、Anna Marie Easson、Yasuko Kiyoi、Grant Wishart、Peter Ray

  DOI：10.1016/j.tetlet.2011.03.053

  日期：2011.7

  Tetrahydro-2H-[2]benzopyrano[3,4-c]pyrrol-3-ones and the related 3a-methyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]isoindole analogues were synthesised by an intramolecular Diels-Alder reaction. The observed stereoselectivity was dependent upon the nature of the tethered dienophile as well as the judicious placement of the amide. (C) 2011 Published by Elsevier Ltd.
• Tricyclic heterocyclic derivatives
  申请人：Davies Keneth

  公开号：US08729274B2

  公开（公告）日：2014-05-20

  The present invention relates to a tricyclic heterocyclic derivative according to Formula (I), wherein the variables are defined as in the specification, or to a pharmaceutically acceptable salt or solvate thereof. The present invention also relates to pharmaceutical compositions comprising said tricyclic heterocyclic derivatives and to their use in therapy, for instance in the treatment or prevention of serotonin mediated disorders, such as obesity.

  本发明涉及一种三环杂环衍生物，其符合公式（I）中定义的变量，或其药学上可接受的盐或溶剂。本发明还涉及包含所述三环杂环衍生物的制药组合物，并且它们在治疗中的应用，例如用于治疗或预防由血清素介导的疾病，如肥胖症。