13,19,25,39,45,51,56,65-Octatert-butyl-3,9,29,35-tetraoxa-6,16,22,32,42,48,53,59,62,68-decathiaundecacyclo[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 | 827618-86-0

• 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-3,9,29,35-tetraoxa-6,16,22,32,42,48,53,59,62,68-decathiaundecacyclo[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-3,9,29,35-tetraoxa-6,16,22,32,42,48,53,59,62,68-decathiaundecacyclo[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: 827618-86-0
• 化学式: C₈₈H₁₀₈O₈S₁₀
• 分子量: 1614.48
• InChiKey: HPSATBVJYALJTD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  29.2
• 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：
  371
• 氢给体数：
  4
• 氢受体数：
  18

反应信息

• 作为反应物：
  描述：

  硫二甘醇 、 13,19,25,39,45,51,56,65-Octatert-butyl-3,9,29,35-tetraoxa-6,16,22,32,42,48,53,59,62,68-decathiaundecacyclo[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 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 甲苯 为溶剂， 反应 2.0h， 以30%的产率得到13,19,33,39,53,59,65,70-Octatert-butyl-3,9,23,29,43,49-hexaoxa-6,16,26,36,46,56,62,67,73,76,77-undecathiadodecacyclo[49.15.7.111,31.121,41.157,61.168,72.02,63.010,15.017,22.030,35.037,42.050,55]heptaheptaconta-1,10,12,14,17,19,21,30(35),31,33,37(42),38,40,50,52,54,57(75),58,60,63,65,68,70,72(74)-tetracosaene-74,75-diol
  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：

  硫二甘醇 、 4-叔丁基硫杂杯[4]芳烃 在 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 甲苯 为溶剂， 反应 1.0h， 以90%的产率得到13,19,25,39,45,51,56,65-Octatert-butyl-3,9,29,35-tetraoxa-6,16,22,32,42,48,53,59,62,68-decathiaundecacyclo[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：

  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

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.