(3aR,9bR)-2-benzyl-7-bromo-6-chloro-3,3a,5,9b-tetrahydro-1H-isochromeno[3,4-c]pyrrole | 1135487-44-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: (3aR,9bR)-2-benzyl-7-bromo-6-chloro-3,3a,5,9b-tetrahydro-1H-isochromeno[3,4-c]pyrrole
• CAS: 1135487-44-3
• 化学式: C₁₈H₁₇BrClNO
• 分子量: 378.696
• InChiKey: VNSSWRZXEISLQB-YOEHRIQHSA-N

物化性质

• 沸点：
  465.6±45.0 °C(predicted)
• 密度：
  1.461±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  12.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (3aR,9bR)-2-benzyl-7-bromo-6-chloro-3,3a,5,9b-tetrahydro-1H-isochromeno[3,4-c]pyrrole 在 1-氯乙基氯甲酸酯 、 甲醇 作用下， 以 甲苯 为溶剂， 生成 (3aR,9bR)-7-bromo-6-chloro-1,2,3,3a,5,9b-hexahydroisochromeno[3,4-c]pyrrole
  参考文献：
  名称：

  Synthesis of hexahydro[2]benzopyrano[3,4-c]pyrroles as serotonin 5-HT2C receptor agonists via intramolecular hetero Diels–Alder reactions

  摘要：

  [2]Benzopyrano[3,4-c]pyrroles were synthesized via an intramolecular hetero Diels-Alder reaction. The reaction was applicable to a wide range of substrates and the products could be easily converted into serotonin 5-HT2c receptor agonists. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.03.055
• 作为产物：
  描述：

  在 dimethyl sulfide borane 作用下， 以 四氢呋喃 、 溴苯 为溶剂， 反应 3.5h， 生成 (3aR,9bR)-2-benzyl-7-bromo-6-chloro-3,3a,5,9b-tetrahydro-1H-isochromeno[3,4-c]pyrrole
  参考文献：
  名称：

  Synthesis of hexahydro[2]benzopyrano[3,4-c]pyrroles as serotonin 5-HT2C receptor agonists via intramolecular hetero Diels–Alder reactions

  摘要：

  [2]Benzopyrano[3,4-c]pyrroles were synthesized via an intramolecular hetero Diels-Alder reaction. The reaction was applicable to a wide range of substrates and the products could be easily converted into serotonin 5-HT2c receptor agonists. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.03.055

文献信息

• [EN] TRICYCLIC HETEROCYCLIC DERIVATIVES<br/>[FR] DÉRIVÉS HÉTÉROCYCLIQUES TRICYCLIQUES
  申请人：ORGANON NV

  公开号：WO2009037220A1

  公开（公告）日：2009-03-26

  The present invention relates to a tricyclic heterocyclic derivative of Formula (I) wherein the variables are as defined in the specification. The present invention further relates to pharmaceutical compositions comprising these compounds and to their use in therapy, in particular for the treatment of serotonin-mediated disorders such as obesity, schizophrenia and cognitive dysfunction.

  本发明涉及式(I)所示的三环杂环衍生物，其中变量如说明书中所定义。本发明进一步涉及包含这些化合物的药物组合物及其在治疗中的应用，特别是用于治疗由血清素介导的疾病，如肥胖、精神分裂症和认知功能障碍。
• TRICYCLIC HETEROCYCLIC DERIVATIVES
  申请人：Grove Simon James Anthony

  公开号：US20100210680A1

  公开（公告）日：2010-08-19

  The present invention relates to a tricyclic heterocyclic derivative of Formula (I) wherein the variables are as defined in the specification. The present invention further relates to pharmaceutical compositions comprising these compounds and to their use in therapy, in particular for the treatment of serotonin-mediated disorders such as obesity, schizophrenia and cognitive dysfunction.

  本发明涉及式（I）的三环杂环衍生物，其中变量如规范中所定义。本发明还涉及包含这些化合物的制药组合物以及它们在治疗中的使用，特别是用于治疗由5-羟色胺介导的疾病，如肥胖症，精神分裂症和认知功能障碍。