5,11,17,23-tetra-tert-butyl-25-propoxy-26,27,28-trihydroxy-2,8,14,20-tetrathiacalix[4]arene

• 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-propoxy-26,27,28-trihydroxy-2,8,14,20-tetrathiacalix[4]arene
• 英文别名: 5,11,17,23-tetra-tert-butyl-25-propoxy-2,8,14,20-tetrathiacalix[4]arene；5,11,17,23-tetra(tert-butyl)-25-propoxy-26,27,28-trihydroxythiacalix[4]arene；5,11,17,23-Tetratert-butyl-28-propoxy-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；5,11,17,23-tetratert-butyl-28-propoxy-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
• 化学式: C₄₃H₅₄O₄S₄
• 分子量: 763.163
• InChiKey: ITTRKPKBNCXRQF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.8
• 重原子数：
  51
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.44
• 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 cesium hydroxide 、 sodium carbonate 、 苄胺 作用下， 以 丙酮 、 甲苯 、 乙腈 为溶剂， 反应 64.0h， 生成 5,11,17,23-tetra-tert-butyl-25-propoxy-26,27,28-trihydroxy-2,8,14,20-tetrathiacalix[4]arene
  参考文献：
  名称：

  Unusual functionalization of the lower rim of thiacalix[4]arene: competition of alkylation and transalkylation

  摘要：

  根据苯乙酰基作为保护基团以及参与反烷基化反应的能力，我们用这种方法合成了在下缘被一取代、1,3-二取代、三取代和四取代的硫杂[4]烷，包括含有不同取代基的硫杂[4]烷。

  DOI：

  10.1007/s11172-011-0076-0

文献信息

• Metallic thiacalix[4]arene complexes
  申请人：——

  公开号：US20040127722A1

  公开（公告）日：2004-07-01

  The object of the invention is new complexes of derivatives of thiacalix[4]arenes having the formula: 1 R 1a , R 2a , R 3a , R 4a , R 1b , R 2b , R 3b et R 4b are such as defined in claim 1 and their utilization, especially for manufacturing of materials having optical limiter properties.

  本发明的对象是具有以下公式的硫代卡利克斯[4]芳烃衍生物的新复合物：1R1a，R2a，R3a，R4a，R1b，R2b，R3b和R4b，如权利要求1中定义的，并且它们的利用，特别用于制造具有光限制器性能的材料。
• Unusual functionalization of the lower rim of thiacalix[4]arene: competition of alkylation and transalkylation
  作者：S. E. Solovieva、E. V. Popova、A. O. Omran、A. T. Gubaidullin、S. V. Kharlamov、Sh. K. Latypov、I. S. Antipin、A. I. Konovalov

  DOI：10.1007/s11172-011-0076-0

  日期：2011.3

  Thiacalix[4]arenes mono-, 1,3-di-, tri-, and tetrasubstituted at the lower rim, including those containing different substituents, were synthesized by the method based on the ability of the phenacyl moiety to serve as the protecting group, as well as to be involved in transalkylation.

  根据苯乙酰基作为保护基团以及参与反烷基化反应的能力，我们用这种方法合成了在下缘被一取代、1,3-二取代、三取代和四取代的硫杂[4]烷，包括含有不同取代基的硫杂[4]烷。
• 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.