4-Hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-8-one | 16498-71-8

• 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: 4-Hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-8-one
• CAS: 16498-71-8
• 化学式: C₁₄H₁₄O₄
• 分子量: 246.263
• InChiKey: ROLQOZGSPUDBFG-UHFFFAOYSA-N

物化性质

• 沸点：
  413.7±45.0 °C(Predicted)
• 密度：
  1.293±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  18
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  苯甲酸酐 、 4-Hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-8-one 在 吡啶 作用下， 以68%的产率得到(2,2-Dimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-4-yl) benzoate
  参考文献：
  名称：

  Synthesis and Cytotoxic Activity of Pyranocoumarins of the Seselin and Xanthyletin Series

  摘要：

  The synthesis of known (3-6) and new (7-10 and 14-22) coumarins in the seselin and xanthyletin series is described. The cytotoxic activity of compounds 3-22 was carried out in vitro on L-1210 cells. The most active compounds were 9, 16, 18, and 20 in the seselin series and 10, 17, and 19 in the xanthyletin series. Structure-activity relationships are discussed.

  DOI：

  10.1021/np9800295
• 作为产物：
  描述：

  美洲花椒素 在 N-溴代丁二酰亚胺(NBS) 、 偶氮二异丁腈 、 三正丁基氢锡 作用下， 以 四氢呋喃 、 水 、 甲苯 为溶剂， 生成 4-Hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-8-one
  参考文献：
  名称：

  Synthesis and Cytotoxic Activity of Pyranocoumarins of the Seselin and Xanthyletin Series

  摘要：

  The synthesis of known (3-6) and new (7-10 and 14-22) coumarins in the seselin and xanthyletin series is described. The cytotoxic activity of compounds 3-22 was carried out in vitro on L-1210 cells. The most active compounds were 9, 16, 18, and 20 in the seselin series and 10, 17, and 19 in the xanthyletin series. Structure-activity relationships are discussed.

  DOI：

  10.1021/np9800295

文献信息

• Synthesis and Cytotoxic Activity of Pyranocoumarins of the Seselin and Xanthyletin Series
  作者：Prokopios Magiatis、Eleni Melliou、Alexios-Leandros Skaltsounis、Sofia Mitaku、Stéphane Léonce、Pierre Renard、Alain Pierré、Ghanem Atassi

  DOI：10.1021/np9800295

  日期：1998.8.1

  The synthesis of known (3-6) and new (7-10 and 14-22) coumarins in the seselin and xanthyletin series is described. The cytotoxic activity of compounds 3-22 was carried out in vitro on L-1210 cells. The most active compounds were 9, 16, 18, and 20 in the seselin series and 10, 17, and 19 in the xanthyletin series. Structure-activity relationships are discussed.