Methyl 4-bromo-5-fluorothiophene-2-carboxylate | 1266112-22-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 英文名称: Methyl 4-bromo-5-fluorothiophene-2-carboxylate
• 英文别名: methyl 4-bromo-5-fluorothiophene-2-carboxylate
• CAS: 1266112-22-4
• 化学式: C₆H₄BrFO₂S
• 分子量: 239.065
• InChiKey: DYLITJFSXJSIRJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  54.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-溴噻吩-2-甲酸甲酯 在 Selectfluor 作用下， 以 乙腈 为溶剂， 反应 120.0h， 生成 Methyl 4-bromo-5-fluorothiophene-2-carboxylate
  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

文献信息

• Thiophene and bioisostere derivatives as new MMP12 inhibitors
  作者：Matthew Badland、Delphine Compère、Karine Courté、Anne-Claude Dublanchet、Stéphane Blais、Ajith Manage、Guillaume Peron、Roger Wrigglesworth

  DOI：10.1016/j.bmcl.2010.10.087

  日期：2011.1

  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.