7-(4-hydroxy-2-oxo-2H-chromen-3-yl)-10-methoxychromeno[4,3-b]chromen-6(7H)-one

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 7-(4-hydroxy-2-oxo-2H-chromen-3-yl)-10-methoxychromeno[4,3-b]chromen-6(7H)-one
• 英文别名: 7-(4-hydroxy-2-oxo-2H-chromen-3-yl)-10-methoxy-7H-chromeno[4,3-b]chromen-6-one；7-(4-Hydroxy-2-oxo-2H-chromen-3-yl)-10-methoxy-7H-chromeno[4,3-b]chromen-6-on；7-(4-hydroxy-2-oxochromen-3-yl)-10-methoxy-7H-chromeno[3,2-c]chromen-6-one
• 化学式: C₂₆H₁₆O₇
• 分子量: 440.409
• InChiKey: BEMVKOQXKADXLK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  33
• 可旋转键数：
  2
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  91.3
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  2-羟基-4-甲氧基苯甲醛 、 4-羟基香豆素 反应 10.0h， 以85%的产率得到7-(4-hydroxy-2-oxo-2H-chromen-3-yl)-10-methoxychromeno[4,3-b]chromen-6(7H)-one
  参考文献：
  名称：

  Divergent Products Obtained from the Reactions of Salicylaldehyde and 4-Hydroxycoumarin in TEBAC-H₂O, KF-Al₂O₃-EtOH, and Ionic Liquid

  摘要：

  Controlling selectivity of the reactions of salicylaldehydes and 4-hydroxycoumarin in triethylbenzylammonium chloride-H2O, ionic liquid, or KF-Al2O3-EtOH systems, respectively, resulted in the syntheses of three series of different coumarin derivatives.

  DOI：

  10.1080/00397910903419837

文献信息

• A diastereoselective synthesis of pyrano fused coumarins via organocatalytic three-component reaction
  作者：Somayeh Ahadi、Mahdi Zolghadr、Hamid Reza Khavasi、Ayoob Bazgir

  DOI：10.1039/c2ob26203g

  日期：——

  A new method for the synthesis of pyran fused coumarins by 3-bromo-4-hydroxycoumarins as cyclic α-halo ketones based on an organocatalyst assisted three-component tandem reaction is investigated. To the best of our knowledge, cyclic α-halo ketones have not yet been used for the synthesis of pyran fused coumarins.

  研究了一种基于有机催化剂辅助的三组分串联反应、以3-溴-4-羟基香豆素为环α-卤代酮合成吡喃稠合香豆素的新方法。据我们所知，环状α-卤代酮尚未用于合成吡喃稠合香豆素。
• Studies on 4-Hydroxycoumarins. II. The Condensation of Aldehydes with 4-Hydroxycoumarins¹
  作者：William R. Sullivan、Charles F. Huebner、Mark A. Stahmann、Karl Paul Link

  DOI：10.1021/ja01252a008

  日期：1943.12
• Divergent Products Obtained from the Reactions of Salicylaldehyde and 4-Hydroxycoumarin in TEBAC-H₂O, KF-Al₂O₃-EtOH, and Ionic Liquid
  作者：Xiang-Shan Wang、Jie Zhou、Ke Yang、Mei-Mei Zhang

  DOI：10.1080/00397910903419837

  日期：2010.10.20

  Controlling selectivity of the reactions of salicylaldehydes and 4-hydroxycoumarin in triethylbenzylammonium chloride-H2O, ionic liquid, or KF-Al2O3-EtOH systems, respectively, resulted in the syntheses of three series of different coumarin derivatives.