5,11,17,23-Tetratert-butyl-28-phenylmethoxy-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-dodecaene-25,26,27-triol | 1369956-58-0

• 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-Tetratert-butyl-28-phenylmethoxy-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-dodecaene-25,26,27-triol
• 英文别名: 5,11,17,23-tetratert-butyl-28-phenylmethoxy-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-dodecaene-25,26,27-triol
• CAS: 1369956-58-0
• 化学式: C₄₇H₅₄O₄S₄
• 分子量: 811.207
• InChiKey: NPRWUUONZOAPDU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.4
• 重原子数：
  55
• 可旋转键数：
  7
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  171
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  4-叔丁基硫杂杯[4]芳烃 在 盐酸 、 potassium fluoride 、 水 作用下， 以 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 反应 78.0h， 生成 5,11,17,23-Tetratert-butyl-28-phenylmethoxy-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-dodecaene-25,26,27-triol
  参考文献：
  名称：

  Monosubstituted lower rim thiacalix[4]arene derivatives

  摘要：

  A clean and partially green route to monoalkyled thiacalix[4]arenes has been demonstrated. We have discovered that tetraalkylammonium halide can cleave selectively one of the two aryl alkyl ethers of dialkylated para-tert-butylthiacalix[4]arenes. Thus, p-tert-butyl thiacalix[4]arenes differently monoalkyled at the lower rim with acetyl, propyl, and benzyl group were synthesized in good yield. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.02.037

文献信息

• Monosubstituted lower rim thiacalix[4]arene derivatives
  作者：Meriem Lamouchi、Erwann Jeanneau、Rodica Chiriac、Didier Ceroni、Faouzi Meganem、Arnaud Brioude、Anthony W. Coleman、Cédric Desroches

  DOI：10.1016/j.tetlet.2012.02.037

  日期：2012.4

  A clean and partially green route to monoalkyled thiacalix[4]arenes has been demonstrated. We have discovered that tetraalkylammonium halide can cleave selectively one of the two aryl alkyl ethers of dialkylated para-tert-butylthiacalix[4]arenes. Thus, p-tert-butyl thiacalix[4]arenes differently monoalkyled at the lower rim with acetyl, propyl, and benzyl group were synthesized in good yield. (C) 2012 Elsevier Ltd. All rights reserved.