5,11,17,23-tetra-tert-butyl-25,26,27,28-tetrakis[(octadecylaminocarbonyl)-methoxy]-2,8,14,20-tetrathiacalix[4]arene | 1046769-42-9

• 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-25,26,27,28-tetrakis[(octadecylaminocarbonyl)-methoxy]-2,8,14,20-tetrathiacalix[4]arene
• 英文别名: N-octadecyl-2-[[5,11,17,23-tetratert-butyl-26,27,28-tris[2-(octadecylamino)-2-oxoethoxy]-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaen-25-yl]oxy]acetamide
• CAS: 1046769-42-9
• 化学式: C₁₂₀H₂₀₄N₄O₈S₄
• 分子量: 1959.23
• InChiKey: XVKUSCAIYAJVMP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  47.6
• 重原子数：
  136
• 可旋转键数：
  84
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  255
• 氢给体数：
  4
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  十八胺 、 5,11,17,23-tetra-tert-butyl-25,26,27,28-tetrakis[(ethoxycarbonyl)methoxy]-2,8,14,20-tetrathiacalix[4]arene 在 ammonium chloride 作用下， 反应 2.0h， 以96%的产率得到5,11,17,23-tetra-tert-butyl-25,26,27,28-tetrakis[(octadecylaminocarbonyl)-methoxy]-2,8,14,20-tetrathiacalix[4]arene
  参考文献：
  名称：

  The synthesis of p-tert-butyl thiacalix[4]arenes functionalized with secondary amide groups at the lower rim and their extraction properties and self-assembly into nanoscale aggregates

  摘要：

  In this work, the synthesis of novel p-tert-butyl thiacalix[4]arenes functionalized with the secondary amide groups at the lower rim in cone, partial cone, and 1,3-alternate conformations is described. The ability of novel thiacalixarene derivatives to form dimeric associates held together by hydrogen bonds of p-tert-butyl thiacalixarenes and to recognize metal ions of s (Li+, Na+, K+, Cs+, Mg2+, Ca2+, Ba2+), p (Al3+, Pb2+), and d (Fe3+, CO3+, Ni2+, Cu2+, Ag+, Cd2+, Hg2+) elements was investigated by the picrate extraction method and dynamic light scattering (DLS). As was established, the thiacalix[4]arenes investigated are poor extractants for all the metal ions. Meanwhile they self-associate to form dimers; of similar size (1.1-2.7 nm) and nanoscale particles consisting of p-tert-butyl thiacalix[4]arenes and silver cations with hydrodynamic diameters of 70-170 nm. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.05.057

文献信息

• The synthesis of p-tert-butyl thiacalix[4]arenes functionalized with secondary amide groups at the lower rim and their extraction properties and self-assembly into nanoscale aggregates
  作者：Ivan I. Stoikov、Elena A. Yushkova、Arkadij Yu Zhukov、Ilya Zharov、Igor S. Antipin、Alexander I. Konovalov

  DOI：10.1016/j.tet.2008.05.057

  日期：2008.7

  In this work, the synthesis of novel p-tert-butyl thiacalix[4]arenes functionalized with the secondary amide groups at the lower rim in cone, partial cone, and 1,3-alternate conformations is described. The ability of novel thiacalixarene derivatives to form dimeric associates held together by hydrogen bonds of p-tert-butyl thiacalixarenes and to recognize metal ions of s (Li+, Na+, K+, Cs+, Mg2+, Ca2+, Ba2+), p (Al3+, Pb2+), and d (Fe3+, CO3+, Ni2+, Cu2+, Ag+, Cd2+, Hg2+) elements was investigated by the picrate extraction method and dynamic light scattering (DLS). As was established, the thiacalix[4]arenes investigated are poor extractants for all the metal ions. Meanwhile they self-associate to form dimers; of similar size (1.1-2.7 nm) and nanoscale particles consisting of p-tert-butyl thiacalix[4]arenes and silver cations with hydrodynamic diameters of 70-170 nm. (c) 2008 Elsevier Ltd. All rights reserved.