| 1198074-44-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• CAS: 1198074-44-0
• 化学式: C₁₈H₂₄F₃NO₂
• 分子量: 343.389
• InChiKey: DJVCMOMBDFOIPD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.03
• 重原子数：
  24.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  39.19
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  在 水 、 sodium hydroxide 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 生成 4-(3-cyclohexyl-5-(trifluoromethyl)pyridin-2-yl)butanoic acid
  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
• 作为产物：
  描述：

  ethyl 4-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)butanoate 、 bromozinc(1+),cyclohexane 在 [1,3-bis(2,6-diisopropyl-phenyl)imidazol-2-ylidene](3-chloropyridyl)-palladium(II) dichloride 作用下， 以 四氢呋喃 为溶剂， 反应 40.0h， 以27%的产率得到
  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