2,2',2'',2'''-((((15,35,55,75-tetra-tert-butyl-2,4,6,8-tetrathia-1,3,5,7(1,3)-tetrabenzenacyclooctaphane-12,32,52,72-tetrayl)tetrakis(oxy))tetrakis(methylene))tetrakis(1H-1,2,3-triazole-4,1-diyl))tetrakis(N-((S)-1-hydroxy-4-methylpentan-2-yl)acetamide) | 1440530-35-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2,2',2'',2'''-((((15,35,55,75-tetra-tert-butyl-2,4,6,8-tetrathia-1,3,5,7(1,3)-tetrabenzenacyclooctaphane-12,32,52,72-tetrayl)tetrakis(oxy))tetrakis(methylene))tetrakis(1H-1,2,3-triazole-4,1-diyl))tetrakis(N-((S)-1-hydroxy-4-methylpentan-2-yl)acetamide)
• CAS: 1440530-35-7
• 化学式: C₈₄H₁₂₀N₁₆O₁₂S₄
• 分子量: 1674.24
• InChiKey: DMRJMWXDTGPNAC-YKDOIGRJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.57
• 重原子数：
  116.0
• 可旋转键数：
  36.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  357.08
• 氢给体数：
  8.0
• 氢受体数：
  28.0

反应信息

• 作为产物：
  描述：

  L-亮氨醇 、 28-tetra(ethylacetyl-1H-1,2,3-triazolyl-methyloxy)thiacalix[4]arene 以 乙醇 、 氯仿 为溶剂， 反应 10.0h， 以81%的产率得到2,2',2'',2'''-((((15,35,55,75-tetra-tert-butyl-2,4,6,8-tetrathia-1,3,5,7(1,3)-tetrabenzenacyclooctaphane-12,32,52,72-tetrayl)tetrakis(oxy))tetrakis(methylene))tetrakis(1H-1,2,3-triazole-4,1-diyl))tetrakis(N-((S)-1-hydroxy-4-methylpentan-2-yl)acetamide)
  参考文献：
  名称：

  Click synthesis and dye extraction properties of novel thiacalix[4]arene derivatives with triazolyl and hydrogen bonding groups

  摘要：

  Using a click reaction between alkynylthiacalix[4]arene and ethyl 2-azidoacetate followed by an ammonolysis with ethanolamine, leucinol and hydrazine hydrate, respectively, three novel thiacalix[4]arene derivatives 4, 5 and 6 with triazolyl and hydrogen bonding groups (NH and OH) were synthesized in high yields. They exhibited excellent extraction capability for six anionic and cationic dyes. The flexible cavity, pi-triazole rings and hydrogen bonding groups all play crucial roles in dye complexation. (C) 2013 Fa-Fu Yang. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2013.04.003