5,11,17,23-tetra-tert-butyl-25,26,27,28-tetrakis[N-(2-aminoethyl)-carbamoylmethoxy]-2,8,14,20-tetrathiacalix[4]arene | 819802-35-2

• 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-25,26,27,28-tetrakis[N-(2-aminoethyl)-carbamoylmethoxy]-2,8,14,20-tetrathiacalix[4]arene
• 英文别名: 5,11,17,23-tetra-tert-butyl-25,26,27,28-tetrakis[((N-2-aminoethyl)aminocarbonyl)methoxy]-thiacalix[4]arene
• CAS: 819802-35-2；875057-79-7；875057-84-4
• 化学式: C₅₆H₈₀N₈O₈S₄
• 分子量: 1121.56
• InChiKey: IQOUWHZTYZXXKP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.61
• 重原子数：
  76.0
• 可旋转键数：
  20.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  257.4
• 氢给体数：
  8.0
• 氢受体数：
  16.0

反应信息

• 作为反应物：
  描述：

  异氰酸苯酯 、 5,11,17,23-tetra-tert-butyl-25,26,27,28-tetrakis[N-(2-aminoethyl)-carbamoylmethoxy]-2,8,14,20-tetrathiacalix[4]arene 以 乙醚 、 异丙醇 为溶剂， 反应 2.0h， 以0.108 g的产率得到N-[2-[[anilino(hydroxy)methylidene]amino]ethyl]-2-[[26,27,28-tris[2-[2-[[anilino(hydroxy)methylidene]amino]ethylimino]-2-hydroxyethoxy]-5,11,17,23-tetratert-butyl-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]ethanimidic acid
  参考文献：
  名称：

  Novel anion receptors based on thiacalix[4]arene derivatives

  摘要：

  Starting from the thiacalix[4]arene tetraacetate, novel derivatives bearing four ureido or thioureido functions on the lower rim have been prepared. As proven by NMR titrations, these compounds can bind anions via hydrogen bonding interactions and represent the first example of anion receptors in the thiacalixarene series. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2004.09.088
• 作为产物：
  描述：

  4-叔丁基硫杂杯[4]芳烃 在 sodium carbonate 作用下， 以 四氢呋喃 、 丙酮 为溶剂， 反应 96.0h， 生成 5,11,17,23-tetra-tert-butyl-25,26,27,28-tetrakis[N-(2-aminoethyl)-carbamoylmethoxy]-2,8,14,20-tetrathiacalix[4]arene
  参考文献：
  名称：

  Novel anion receptors based on thiacalix[4]arene derivatives

  摘要：

  Starting from the thiacalix[4]arene tetraacetate, novel derivatives bearing four ureido or thioureido functions on the lower rim have been prepared. As proven by NMR titrations, these compounds can bind anions via hydrogen bonding interactions and represent the first example of anion receptors in the thiacalixarene series. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2004.09.088

文献信息

• Aminolysis of <i>p‐tert</i>‐Butyl‐tetrakis[(ethoxycarbonyl)methoxy]thiacalix[4]arene
  作者：Yan Jin、Chunlei Zhang、Shuling Gong、Yuanyin Chen

  DOI：10.1080/00397910500285466

  日期：2005.12.1

  A convenient method for preparation of thiacalix[4]arene tetraamides in high to good yields by reacting conic or 1,3- alt - p-tert -butyl-tetrakis[(ethoxycarbonyl)methoxy]-thiacalix[4]arene with excess monoamines or diamines is reported. In most cases, corresponding tetraamides with original conformation were obtained. However, when the cone one was reacted with ethylenediamine or propylenediamine, the obtained tetraamides possessed partial conic conformation, which meant that conversion of conformation occurred.