1-(5,8-difluoro-6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[6-(trifluoromethyl)pyridin-3-yl]propan-1-one | 1246997-64-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 1-(5,8-difluoro-6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[6-(trifluoromethyl)pyridin-3-yl]propan-1-one
• CAS: 1246997-64-7
• 化学式: C₁₈H₁₅F₅N₂O₃
• 分子量: 402.321
• InChiKey: PGZHOCYNKDRCNQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  28
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  73.7
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  在 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以49%的产率得到1-(5,8-difluoro-6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[6-(trifluoromethyl)pyridin-3-yl]propan-1-one
  参考文献：
  名称：

  Synthesis of novel tetrahydroisoquinoline bronchodilators

  摘要：

  The synthesis and bronchorelaxing effects of a series of novel tetrahydroisoquinoline amides are described. The compounds were evaluated for their ability to relax LTD4 contracted isolated human small airways ex-vivo. Several compounds demonstrated highly efficacious bronchorelaxing properties. Cinnamide 71 was selected for further studies and constitutes a promising candidate as a novel bronchorelaxing agent for the treatment of pulmonary disorders. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.07.057