Methyl 5-methoxy-2-(4-methoxyphenyl)-1-benzofuran-7-carboxylate | 551002-47-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 2-芳基苯并呋喃类黄酮
• 英文名称: Methyl 5-methoxy-2-(4-methoxyphenyl)-1-benzofuran-7-carboxylate
• CAS: 551002-47-2
• 化学式: C₁₈H₁₆O₅
• 分子量: 312.322
• InChiKey: DFKMRLYNJKBUBD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  57.9
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  Methyl 5-methoxy-2-(4-methoxyphenyl)-1-benzofuran-7-carboxylate 在 吡啶盐酸盐 作用下， 生成 5-Hydroxy-2-(4-hydroxy-phenyl)-benzofuran-7-carboxylic acid
  参考文献：
  名称：

  7-Substituted 2-phenyl-benzofurans as ERβ selective ligands

  摘要：

  A series of 2-(4-hydroxy-phenyl)-benzofuran-5-ols with relatively lipophilic groups in the 7-position of the benzofuran was prepared and the affinity and selectivity for ERbeta was measured. Many of the analogues were found to be potent and selective ERbeta ligands. Additional modifications at the benzofuran 4-position as well as at the 3'-position of the 2-phenyl group were found to further increase selectivity. Such modifications led to compounds with <10nM potency and >100-fold selectivity for ERbeta. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.07.029
• 作为产物：
  描述：

  5-甲氧基水杨酸甲酯 在 bis-triphenylphosphine-palladium(II) chloride 、 氢氧化钾 、 copper(l) iodide 、 碘 、 二乙胺 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 Methyl 5-methoxy-2-(4-methoxyphenyl)-1-benzofuran-7-carboxylate
  参考文献：
  名称：

  7-Substituted 2-phenyl-benzofurans as ERβ selective ligands

  摘要：

  A series of 2-(4-hydroxy-phenyl)-benzofuran-5-ols with relatively lipophilic groups in the 7-position of the benzofuran was prepared and the affinity and selectivity for ERbeta was measured. Many of the analogues were found to be potent and selective ERbeta ligands. Additional modifications at the benzofuran 4-position as well as at the 3'-position of the 2-phenyl group were found to further increase selectivity. Such modifications led to compounds with <10nM potency and >100-fold selectivity for ERbeta. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.07.029