(31-[12-N-(phthalimidododecyl)oxy]-32,33,34,35-tetra-hexadecyloxy)-5,11,17,23,29-penta-tert-butylcalix[5]arene | 1349904-34-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: (31-[12-N-(phthalimidododecyl)oxy]-32,33,34,35-tetra-hexadecyloxy)-5,11,17,23,29-penta-tert-butylcalix[5]arene
• CAS: 1349904-34-2
• 化学式: C₁₃₉H₂₂₅NO₇
• 分子量: 2022.32
• InChiKey: WYJOPMNEKGDNEQ-UHFFFAOYSA-N

物化性质

• 沸点：
  1401.0±65.0 °C(Predicted)
• 密度：
  0.954±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  42.46
• 重原子数：
  147.0
• 可旋转键数：
  78.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  83.53
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  (31-[12-N-(phthalimidododecyl)oxy]-32,33,34,35-tetra-hexadecyloxy)-5,11,17,23,29-penta-tert-butylcalix[5]arene 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 3.0h， 以43%的产率得到31-[(12-aminododecyl)oxy]-32,33,34,35-tetra-hexadecyloxy-5,11,17,23,29-penta-tert-butylcalix[5]arene
  参考文献：
  名称：

  Orthogonal chain length control in calix[5]arene-based AB-type supramolecular polymers

  摘要：

  New AB-type supramolecular polymers have been prepared by acid-promoted self-assembly of an aminododecyloxy-calix[5]arene monomer precursor. The number-average degree of polymerization has been found to be dependent on the concentration of the salt monomer and on the nature of the counterion (i.e., chloride, picrate or hexafluorophosphate).Chain-length regulation experiments have been carried out, employing orthogonal chain stoppers capable of selectively interacting with a given moiety of the AB-type monomer/polymer. Competitive calix[5]arene 'caps' and n-butylammonium ion 'plugs' have been used to control the extent of self-assembly of the polymer, in turn interacting with the ammoniumdodecyloxy or with the cavity end-groups of the supramolecular calixarene assembly. These experiments, conveniently carried out at a 10 mM concentration, can be easily followed by H-1 NMR spectroscopy. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.09.098
• 作为产物：
  描述：

  31-[12-N-(phthalimidododecyl)oxy]-32,33,34,35-tetrahydroxy-5,11,17,23,29-penta-tert-butylcalix[5]arene 、 溴代十六烷 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 16.0h， 以62%的产率得到(31-[12-N-(phthalimidododecyl)oxy]-32,33,34,35-tetra-hexadecyloxy)-5,11,17,23,29-penta-tert-butylcalix[5]arene
  参考文献：
  名称：

  Orthogonal chain length control in calix[5]arene-based AB-type supramolecular polymers

  摘要：

  New AB-type supramolecular polymers have been prepared by acid-promoted self-assembly of an aminododecyloxy-calix[5]arene monomer precursor. The number-average degree of polymerization has been found to be dependent on the concentration of the salt monomer and on the nature of the counterion (i.e., chloride, picrate or hexafluorophosphate).Chain-length regulation experiments have been carried out, employing orthogonal chain stoppers capable of selectively interacting with a given moiety of the AB-type monomer/polymer. Competitive calix[5]arene 'caps' and n-butylammonium ion 'plugs' have been used to control the extent of self-assembly of the polymer, in turn interacting with the ammoniumdodecyloxy or with the cavity end-groups of the supramolecular calixarene assembly. These experiments, conveniently carried out at a 10 mM concentration, can be easily followed by H-1 NMR spectroscopy. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.09.098