13-(3,5-Dichloro-2-hydroxyphenyl)-2,10,16-trioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,17,19,21-octaene-11,15-dione | 1258196-14-3

• 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: 13-(3,5-Dichloro-2-hydroxyphenyl)-2,10,16-trioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,17,19,21-octaene-11,15-dione
• CAS: 1258196-14-3
• 化学式: C₂₅H₁₂Cl₂O₆
• 分子量: 479.273
• InChiKey: NZKWLXPHQVQFJZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  33
• 可旋转键数：
  1
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  82.1
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-羟基香豆素 、 3,5-二氯水杨醛 在 potassium fluoride on basic alumina 作用下， 以 乙醇 为溶剂， 反应 10.0h， 以78%的产率得到13-(3,5-Dichloro-2-hydroxyphenyl)-2,10,16-trioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,17,19,21-octaene-11,15-dione
  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

• 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.