(+/-)-10t-acetoxy-9r-bromo-8,8-dimethyl-9,10-dihydro-8H-pyrano[2,3-f]chromen-2-one | 109602-85-9

• 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: (+/-)-10t-acetoxy-9r-bromo-8,8-dimethyl-9,10-dihydro-8H-pyrano[2,3-f]chromen-2-one
• 英文别名: (+/-)-10t-Acetoxy-9r-brom-8,8-dimethyl-9,10-dihydro-8H-pyrano[2,3-f]chromen-2-on；[(9R,10S)-9-bromo-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] acetate
• CAS: 109602-85-9
• 化学式: C₁₆H₁₅BrO₅
• 分子量: 367.196
• InChiKey: SZKNGFAZFYQIQL-LSDHHAIUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  61.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  邪蒿素 在 吡啶 、 N-溴代丁二酰亚胺(NBS) 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 4.0h， 生成 (+/-)-10t-acetoxy-9r-bromo-8,8-dimethyl-9,10-dihydro-8H-pyrano[2,3-f]chromen-2-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

• Schroeder et al., Chemische Berichte, 1959, vol. 92, p. 2338,2362
  作者：Schroeder et al.

  DOI：——

  日期：——
• 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.