5-allyl-25,27-bis[(ethoxycarbonyl)methoxy]calix[4]arene | 1618105-24-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5-allyl-25,27-bis[(ethoxycarbonyl)methoxy]calix[4]arene
• CAS: 1618105-24-0
• 化学式: C₃₉H₄₀O₈
• 分子量: 636.742
• InChiKey: MXPCKCOMWDIQRV-UHFFFAOYSA-N

物化性质

• 沸点：
  758.9±60.0 °C(predicted)
• 密度：
  1.207±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.39
• 重原子数：
  47.0
• 可旋转键数：
  10.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  111.52
• 氢给体数：
  2.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  25-allyloxycalix[4]arene 在 sodium carbonate 、 N,N-二甲基苯胺 作用下， 以 乙腈 为溶剂， 反应 12.5h， 生成 5-allyl-26,28-bis[(ethoxylcarbonyl)methoxy]calix[4]arene 、 5-allyl-25,27-bis[(ethoxycarbonyl)methoxy]calix[4]arene
  参考文献：
  名称：

  Synthesis of calix[4]arene-based polycarboxylate ligands and their chemical immobilization onto controlled-pore glass

  摘要：

  Three new calix[4]arene-based carboxylate ligands with an appended allyl function have been synthesized, chemically immobilized onto a controlled-pore glass (CPG), and the extracting ability of selected materials towards Sr2+ in solid-liquid extraction was examined. The calixarenes were characterized by elemental analysis, mass spectrometry, IR and NMR spectroscopy, and where appropriate by X-ray crystallography. Four functionalized CPGs were prepared by radical thiol addition of the corresponding 5-allylcalix[4]arenes to gamma-mercaptopropyl-modified CPG. Analysis by C-13 and Si-29 cross polarization/magic angle spinning (CP/MAS) NMR spectroscopy clearly showed the covalent fixation of the calix[4]arenes to CPG. The calix[4]arene phases were found to be stable up to 200 degrees C by simultaneous thermal analysis (STA). The extraction performance of the modified CPGs towards Sr2+ were found to be superior over the unmodified CPGs as demonstrated by radiotracing using the short-lived radio nuclide Sr-85. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2014.05.075