5,11,17-tris(p-tert-butyl)-23-hydroxyphosphonomethyl-25,26,27,28-tetrahydroxycalix[4]arene sodium salt | 1314876-44-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 5,11,17-tris(p-tert-butyl)-23-hydroxyphosphonomethyl-25,26,27,28-tetrahydroxycalix[4]arene sodium salt
• CAS: 1314876-44-2
• 化学式: C₄₁H₅₀O₇P*Na
• 分子量: 708.807
• InChiKey: WKKXVIPTFBZLGB-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  5.13
• 重原子数：
  50.0
• 可旋转键数：
  2.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  141.28
• 氢给体数：
  5.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  5,11,17-tris(p-tert-butyl)-23-dimethoxyphosphonomethyl-25,26,27,28-tetrahydroxycalix[4]arene 在 二(三甲基甲硅烷基)乙炔 、 sodium hydroxide 作用下， 以 甲醇 为溶剂， 生成 5,11,17-tris(p-tert-butyl)-23-hydroxyphosphonomethyl-25,26,27,28-tetrahydroxycalix[4]arene sodium salt
  参考文献：
  名称：

  Transportation of Poorly Soluble Drug Molecules from the Organic Phase to the Aqueous Phase by Using Phosphorylated Calixarenes

  摘要：

  This study is the first report on the extraction of poorly soluble drug molecules such as nifedipine, niclosamide, and furosemide from the organic phase to the aqueous phase by water-soluble p-phosphonate calix[n]arene receptors via a liquid-liquid phase extraction process. These water-soluble calixarene derivatives were easily obtained from the reaction between their corresponding chloromethylated derivatives and trimethyl phosphite. From the liquid-liquid phase extraction studies, it was observed that the size of the p-phosphonate calix[n]arenes changed the extraction percentage of selected drug molecules.

  DOI：

  10.1021/je2004319