5,11,17,23-tetra-tert-butyl-25,27-dibenzyloxy-26,28-bis{[1H-(4-methoxybenzyl)-(1,2,3-triazol-4-yl)]-methoxy}-2,8,14,2'-tetrathiacalix[4]arene | 1358633-47-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 5,11,17,23-tetra-tert-butyl-25,27-dibenzyloxy-26,28-bis{[1H-(4-methoxybenzyl)-(1,2,3-triazol-4-yl)]-methoxy}-2,8,14,2'-tetrathiacalix[4]arene
• CAS: 1358633-47-2
• 化学式: C₇₆H₈₂N₆O₆S₄
• 分子量: 1303.79
• InChiKey: WURQBXWEJLFGPE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  19.41
• 重原子数：
  92.0
• 可旋转键数：
  18.0
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  116.8
• 氢给体数：
  0.0
• 氢受体数：
  16.0

反应信息

• 作为产物：
  描述：

  5,11,17,23-tetra-tert-butyl-25,27-dibenzyloxy-26,28-[bis(propargyloxy)]-2,8,14,2'-tetrathiacalix[4]arene 、 1-(叠氮甲基)-4-甲氧基苯 在 copper(l) iodide 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 24.0h， 以74%的产率得到5,11,17,23-tetra-tert-butyl-25,27-dibenzyloxy-26,28-bis{[1H-(4-methoxybenzyl)-(1,2,3-triazol-4-yl)]-methoxy}-2,8,14,2'-tetrathiacalix[4]arene
  参考文献：
  名称：

  Synthesis, crystal structure and complexation behaviour of a thiacalix[4]arene bearing 1,2,3-triazole groups

  摘要：

  The structure and complexation behaviour of 1,3-alternate-1,2,3-triazole based on thiacalix[4]arene, 1,3-alternate-1 and 2 have been determined by means of X-ray analysis, fluorescence and (1)H NMR spectroscopy. The X-ray results suggested that the nitrogen atom N3 on triazole ring can act as hydrogen bond acceptors in the self-assembly of a supramolecular structure. The fluorescence spectra changes indicated that the thiacalix[4]arene bearing 1,2,3-triazole groups were highly selective for Ag(+) in comparison with other tested metal ions by enhancement of the monomer emission of pyrene. The (1)H NMR results suggested that Ag(+) can be strongly bonded by the triazole groups with the cooperation of the ionophoric cavity formed by the two inverted benzene rings and the sulfur atoms of the thiacalix[4]arene.

  DOI：

  10.1080/10610278.2011.601603