3-(6-(Trifluoromethyl)pyridin-3-yl)but-2-enoic acid | 1100756-78-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: 3-(6-(Trifluoromethyl)pyridin-3-yl)but-2-enoic acid
• 英文别名: 3-[6-(trifluoromethyl)pyridin-3-yl]but-2-enoic acid
• CAS: 1100756-78-2
• 化学式: C₁₀H₈F₃NO₂
• 分子量: 231.174
• InChiKey: YSGHGHJIQAVYIY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  50.2
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  5,8-dichloro-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride 、 3-(6-(Trifluoromethyl)pyridin-3-yl)but-2-enoic acid 在 4-二甲氨基吡啶 、 1-羟基苯并三唑 、 caesium carbonate 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 48.0h， 生成
  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 3-(6-(trifluoromethyl)pyridin-3-yl)but-2-enoate 在 水 、 sodium hydroxide 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 以75%的产率得到3-(6-(Trifluoromethyl)pyridin-3-yl)but-2-enoic 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

文献信息

• NOVEL BRONCHODILATING ALPHA, BETA-UNSATURATED ISOQUINOLINE AMIDES
  申请人：Dalence Maria

  公开号：US20100256101A1

  公开（公告）日：2010-10-07

  The invention relates to novel compounds having the general formula (I), and which compounds are useful to manufacture a medicament to treat a disorder or disease characterized by bronchoconstriction, e.g. COPD and asthma, and vasoconstriction, e.g. hypertension.

  本发明涉及具有一般式(I)的新化合物，这些化合物可用于制造治疗支气管收缩（例如COPD和哮喘）和血管收缩（例如高血压）等疾病或疾病的药物。
• Bronchodilating alpha, beta-unsaturated isoquinoline amides
  申请人：Respiratorius AB

  公开号：US08318768B2

  公开（公告）日：2012-11-27

  The invention relates to novel compounds having the general formula (I), and which compounds are useful to manufacture a medicament to treat a disorder or disease characterized by bronchoconstriction, e.g. COPD and asthma, and vasoconstriction, e.g. hypertension.

  该发明涉及具有一般式（I）的新化合物，这些化合物可用于制造治疗支气管收缩（例如COPD和哮喘）和血管收缩（例如高血压）等疾病或疾病的药物。