7-O-n-butyl-diphyllin | 1148125-39-6

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物 - 芳基萘木脂素
• 英文名称: 7-O-n-butyl-diphyllin
• 英文别名: 9-(1,3-benzodioxol-5-yl)-4-butoxy-6,7-dimethoxy-3H-benzo[f][2]benzofuran-1-one
• CAS: 1148125-39-6
• 化学式: C₂₅H₂₄O₇
• 分子量: 436.461
• InChiKey: ZFJQZMDQHILXQC-UHFFFAOYSA-N

物化性质

• 沸点：
  659.0±55.0 °C(predicted)
• 密度：
  1.290±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  32
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  72.4
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  正溴丁烷 、 二叶草素 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 以82.1%的产率得到7-O-n-butyl-diphyllin
  参考文献：
  名称：

  Synthesis and bioevaluation of novel analogues of justicidin A

  摘要：

  Nine analogues of natural lignan justicidin A were easily synthesized employing Williamson etherification in yields of 76-84%. Compounds were evaluated for their cytotoxic activities against hepatocellular carcinoma (HepG2) cell line using 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyl-tetrazolium bromide (MTT) assay. All synthesized analogues showed better antitumor activity than etoposide.

  DOI：

  10.1007/s00044-009-9172-1

文献信息

• Synthesis and bioevaluation of novel analogues of justicidin A
  作者：Zhao Yu、Wang Dan、Hui Jie、Zhu Li

  DOI：10.1007/s00044-009-9172-1

  日期：2010.2

  Nine analogues of natural lignan justicidin A were easily synthesized employing Williamson etherification in yields of 76-84%. Compounds were evaluated for their cytotoxic activities against hepatocellular carcinoma (HepG2) cell line using 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyl-tetrazolium bromide (MTT) assay. All synthesized analogues showed better antitumor activity than etoposide.