7-hydroxy-2-methylbenzofuran-6-carboxylic acid | 711006-93-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 7-hydroxy-2-methylbenzofuran-6-carboxylic acid
• 英文别名: 7-Hydroxy-2-methyl-1-benzofuran-6-carboxylic acid
• CAS: 711006-93-8
• 化学式: C₁₀H₈O₄
• 分子量: 192.171
• InChiKey: FLEJJBHLEHHQBX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  70.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  7-hydroxy-2-methylbenzofuran-6-carboxylic acid 在 咪唑 、 N-溴代丁二酰亚胺(NBS) 、 四丁基氟化铵 、 过氧化苯甲酰 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 、 苯 为溶剂， 反应 26.67h， 生成 2-Bromomethyl-7-hydroxy-benzofuran-6-carboxylic acid
  参考文献：
  名称：

  Synthesis of styrylbenzofuran derivatives as styrylquinoline analogues for HIV-1 integrase inhibitor

  摘要：

  A series of styrylbenzofuran derivatives (8a-i) as styrylquinoline isosters were efficiently prepared by Wittig reaction and evaluated for inhibitory activity against HIV-1 integrase. In this series, compounds 8g, 8h and 8i containing a free catechol ring showed moderate inhibitory activities (IC50= approximately 40 microM) against HIV-1 integrase, while less than the corresponding styrylquinoline compound (I).

  DOI：

  10.1016/j.farmac.2003.08.001
• 作为产物：
  描述：

  7-甲氧基-2-甲基-1-苯并呋喃 在 吡啶盐酸盐 、 potassium carbonate 作用下， 210.0~285.0 ℃ 、1.52 MPa 条件下， 反应 8.0h， 生成 7-hydroxy-2-methylbenzofuran-6-carboxylic acid
  参考文献：
  名称：

  Synthesis of styrylbenzofuran derivatives as styrylquinoline analogues for HIV-1 integrase inhibitor

  摘要：

  A series of styrylbenzofuran derivatives (8a-i) as styrylquinoline isosters were efficiently prepared by Wittig reaction and evaluated for inhibitory activity against HIV-1 integrase. In this series, compounds 8g, 8h and 8i containing a free catechol ring showed moderate inhibitory activities (IC50= approximately 40 microM) against HIV-1 integrase, while less than the corresponding styrylquinoline compound (I).

  DOI：

  10.1016/j.farmac.2003.08.001