2-bromo-3,9-dihydroxy-benzo[4,5]furo[3,2-c]chromen-6-one | 1134605-63-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 异黄酮类化合物
• 英文名称: 2-bromo-3,9-dihydroxy-benzo[4,5]furo[3,2-c]chromen-6-one
• 英文别名: 2-Bromo-3,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one
• CAS: 1134605-63-2
• 化学式: C₁₅H₇BrO₅
• 分子量: 347.122
• InChiKey: MQKPKXZWPDUNNK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  21
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  79.9
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-bromo-3,9-dihydroxy-benzo[4,5]furo[3,2-c]chromen-6-one 、 氯甲基甲基醚 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 10.0h， 以65%的产率得到2-bromo-3,9-bis-methoxymethoxy-benzo[4,5]furo[3,2-c]chromen-6-one
  参考文献：
  名称：

  Total Synthesis of Psoralidin, an Anticancer Natural Product

  摘要：

  A base-catalyzed condensation of phenyl acetate with acid chloride, followed by intramolecular cyclization and microwave-assisted cross-metathes is reaction, leads to the first total synthesis of psoralidin, a natural product with a broad range of biological activities, in a highly convergent and regioselective manner.

  DOI：

  10.1021/jo8025884
• 作为产物：
  描述：

  methyl 3-(5-bromo-2,4-dimethoxy-phenyl)-2-(2,4-dimethoxy-phenyl)-3-oxo-propionate 在 三溴化硼 、 水 作用下， 以 二氯甲烷 为溶剂， 反应 10.0h， 以78%的产率得到2-bromo-3,9-dihydroxy-benzo[4,5]furo[3,2-c]chromen-6-one
  参考文献：
  名称：

  Total Synthesis of Psoralidin, an Anticancer Natural Product

  摘要：

  A base-catalyzed condensation of phenyl acetate with acid chloride, followed by intramolecular cyclization and microwave-assisted cross-metathes is reaction, leads to the first total synthesis of psoralidin, a natural product with a broad range of biological activities, in a highly convergent and regioselective manner.

  DOI：

  10.1021/jo8025884

文献信息

• Total Synthesis of Psoralidin, an Anticancer Natural Product
  作者：Pallab Pahari、Jürgen Rohr

  DOI：10.1021/jo8025884

  日期：2009.4.3

  A base-catalyzed condensation of phenyl acetate with acid chloride, followed by intramolecular cyclization and microwave-assisted cross-metathes is reaction, leads to the first total synthesis of psoralidin, a natural product with a broad range of biological activities, in a highly convergent and regioselective manner.