13,19,25,39,45,51,56,65-Octatert-butyl-3,6,9,29,32,35-hexaoxa-16,22,42,48,53,59,62,68-octathiaundecacyclo[35.15.7.711,27.117,21.143,47.154,58.02,49.010,15.023,28.036,41.163,67]heptaconta-1,10,12,14,17,19,21(69),23,25,27,36,38,40,43(61),44,46,49,51,54,56,58(60),63(70),64,66-tetracosaene-60,61,69,70-tetrol | 581094-74-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 13,19,25,39,45,51,56,65-Octatert-butyl-3,6,9,29,32,35-hexaoxa-16,22,42,48,53,59,62,68-octathiaundecacyclo[35.15.7.711,27.117,21.143,47.154,58.02,49.010,15.023,28.036,41.163,67]heptaconta-1,10,12,14,17,19,21(69),23,25,27,36,38,40,43(61),44,46,49,51,54,56,58(60),63(70),64,66-tetracosaene-60,61,69,70-tetrol
• 英文别名: 13,19,25,39,45,51,56,65-octatert-butyl-3,6,9,29,32,35-hexaoxa-16,22,42,48,53,59,62,68-octathiaundecacyclo[35.15.7.711,27.117,21.143,47.154,58.02,49.010,15.023,28.036,41.163,67]heptaconta-1,10,12,14,17,19,21(69),23,25,27,36,38,40,43(61),44,46,49,51,54,56,58(60),63(70),64,66-tetracosaene-60,61,69,70-tetrol
• CAS: 581094-74-8
• 化学式: C₈₈H₁₀₈O₁₀S₈
• 分子量: 1582.35
• InChiKey: PXIVPKRZSHKBJT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  27.6
• 重原子数：
  106
• 可旋转键数：
  8
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  339
• 氢给体数：
  4
• 氢受体数：
  18

反应信息

• 作为反应物：
  描述：

  溴丙烷 、 13,19,25,39,45,51,56,65-Octatert-butyl-3,6,9,29,32,35-hexaoxa-16,22,42,48,53,59,62,68-octathiaundecacyclo[35.15.7.711,27.117,21.143,47.154,58.02,49.010,15.023,28.036,41.163,67]heptaconta-1,10,12,14,17,19,21(69),23,25,27,36,38,40,43(61),44,46,49,51,54,56,58(60),63(70),64,66-tetracosaene-60,61,69,70-tetrol 在 sodium hydroxide 、 四丁基溴化铵 作用下， 以 水 、 甲苯 为溶剂， 反应 12.0h， 生成
  参考文献：
  名称：

  Unprecedented cyclisations of calix[4]arenes under the Mitsunobu protocol. Part 3: Thiacalix[4]crowns versus dimers

  摘要：

  Intermolecular couplings versus intramolecular ring closures were observed in the reaction of p-tert-butylthiacalix[4]arene and diethylene glycols affording dimers 2 and/or the inherently chiral 1,2-thiacalix[4]crown-3 derivatives 5 under the Mitsunobu protocol. The enantiomeric separation of 5a was achieved by chiral HPLC. The reaction of thiacalix[4]monocrowns 1 with diethylene glycols failed to give crowned thiacalix-tubes 7, instead biscrowns 8 were formed. Partially alkylated double thiacalix[4]arenes 10, 11 were obtained via the base promoted alkylations of a thiacalixarene dimer 2a containing diethyleneoxy linkers. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2004.10.037
• 作为产物：
  描述：

  4-叔丁基硫杂杯[4]芳烃 、 二乙二醇 在 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 甲苯 为溶剂， 反应 0.5h， 生成 13,19,25,39,45,51,56,65-Octatert-butyl-3,6,9,29,32,35-hexaoxa-16,22,42,48,53,59,62,68-octathiaundecacyclo[35.15.7.711,27.117,21.143,47.154,58.02,49.010,15.023,28.036,41.163,67]heptaconta-1,10,12,14,17,19,21(69),23,25,27,36,38,40,43(61),44,46,49,51,54,56,58(60),63(70),64,66-tetracosaene-60,61,69,70-tetrol
  参考文献：
  名称：

  在Mitsunobu方案下，杯[4]芳烃与乙二醇的前所未有的环化反应。第1部分：杯冠综合的新视角

  摘要：

  的选择性环封闭件对叔丁基硫[4]芳烃和对-叔丁基杯[4]芳烃与低聚乙二醇进行使用DEAD / TPP系统的Mitsunobu方案下进行。该方法为1，3-杯冠的合成开辟了新的前景。

  DOI：

  10.1016/s0040-4039(03)01077-3

文献信息

• Unprecedented cyclisations of calix[4]arenes under the Mitsunobu protocol. Part 3: Thiacalix[4]crowns versus dimers
  作者：Viktor Csokai、Barbara Balázs、Gábor Tóth、Gyula Horváth、István Bitter

  DOI：10.1016/j.tet.2004.10.037

  日期：2004.12

  Intermolecular couplings versus intramolecular ring closures were observed in the reaction of p-tert-butylthiacalix[4]arene and diethylene glycols affording dimers 2 and/or the inherently chiral 1,2-thiacalix[4]crown-3 derivatives 5 under the Mitsunobu protocol. The enantiomeric separation of 5a was achieved by chiral HPLC. The reaction of thiacalix[4]monocrowns 1 with diethylene glycols failed to give crowned thiacalix-tubes 7, instead biscrowns 8 were formed. Partially alkylated double thiacalix[4]arenes 10, 11 were obtained via the base promoted alkylations of a thiacalixarene dimer 2a containing diethyleneoxy linkers. (C) 2004 Elsevier Ltd. All rights reserved.
• Unprecedented cyclisations of calix[4]arenes with glycols under the Mitsunobu protocol. Part 1: A new perspective for the synthesis of calixcrowns
  作者：Viktor Csokai、Alajos Grün、István Bitter

  DOI：10.1016/s0040-4039(03)01077-3

  日期：2003.6

  Selective ring closures of p-tert-butylthiacalix[4]arene and p-tert-butylcalix[4]arene with oligoethylene glycols were performed under the Mitsunobu protocol using the DEAD/TPP system. The method opens a new perspective for the syntheses of 1,3-calixcrowns.

  的选择性环封闭件对叔丁基硫[4]芳烃和对-叔丁基杯[4]芳烃与低聚乙二醇进行使用DEAD / TPP系统的Mitsunobu方案下进行。该方法为1，3-杯冠的合成开辟了新的前景。