4-溴-5-氟噻吩-2-甲醛 | 1266112-21-3

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 中文名称: 4-溴-5-氟噻吩-2-甲醛
• 中文别名: 4-溴-5-氟-2-噻吩甲醛
• 英文名称: 4-bromo-5-fluorothiophene-2-carbaldehyde
• CAS: 1266112-21-3
• 化学式: C₅H₂BrFOS
• 分子量: 209.039
• InChiKey: NJMIFTWJTPGBLQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  45.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-溴-5-氟噻吩-2-甲醛 在 sodium methylate 、 caesium carbonate 作用下， 以 甲醇 、 5,5-dimethyl-1,3-cyclohexadiene 、 N,N-二甲基甲酰胺 为溶剂， 反应 7.0h， 生成 methyl 3-bromo-2-fluoro-4-(4-(trifluoromethyl)benzyl)-4H-thieno[3,2-b]pyrrole-5-carboxylate
  参考文献：
  名称：

  HETEROBICYCLIC COMPOUNDS AS EP4 RECEPTOR ANTAGONISTS

  摘要：

  The invention is directed to a series of novel heterobicyclic amide derivatives as EP4 receptor antagonists which are useful for treating diseases or conditions mediated by the action of PGE2 at EP4 receptors, such as pain, an inflammatory disease and cancer. Also within the scope of this invention are pharmaceutical compositions containing such compounds and methods of use of these compounds for treating a subject suffering from a condition mediated by the action of PGE2 at EP4 receptors.

  公开号：

  WO2024041559A1
• 作为产物：
  描述：

  4-溴-2-噻吩甲醛 在 Selectfluor 作用下， 以 水 、 乙腈 为溶剂， 反应 120.0h， 生成 4-溴-5-氟噻吩-2-甲醛
  参考文献：
  名称：

  Thiophene and bioisostere derivatives as new MMP12 inhibitors

  摘要：

  A new MMP12 inhibitor series has been identified containing a thiophene moiety. Different approaches have been considered to replace this potential toxicophore. alpha-Fluorothiophene derivatives were the most interesting compounds. Their synthesis is presented. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.10.087