| 1440530-34-6

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• CAS: 1440530-34-6
• 化学式: C₆₈H₈₈N₁₆O₁₂S₄
• 分子量: 1449.81
• InChiKey: HCISPQWWNQAWCC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.91
• 重原子数：
  100.0
• 可旋转键数：
  28.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.47
• 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：

  28-tetra(ethylacetyl-1H-1,2,3-triazolyl-methyloxy)thiacalix[4]arene 、 C.I.酸性橙108 以 乙醇 、 氯仿 为溶剂， 反应 10.0h， 以91%的产率得到
  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