| 1349904-36-4

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• CAS: 1349904-36-4
• 化学式: C₆H₃N₃O₇*C₁₃₁H₂₂₃NO₅
• 分子量: 2121.32
• InChiKey: CKSXQDOWKBEAJP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  42.24
• 重原子数：
  153.0
• 可旋转键数：
  80.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  221.82
• 氢给体数：
  2.0
• 氢受体数：
  13.0

反应信息

• 作为产物：
  描述：

  31-[(12-aminododecyl)oxy]-32,33,34,35-tetra-hexadecyloxy-5,11,17,23,29-penta-tert-butylcalix[5]arene 、 苦味酸 以 氯仿 、 水 为溶剂， 生成
  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