5,9,23,27-Tetrakis(3-methylbutoxy)-2,12,20,30-tetraoxa-3lambda6,11lambda6,21lambda6,29lambda6-tetrathianonacyclo[29.5.3.34,10.313,19.322,28.034,38.07,47.016,44.025,41]octatetraconta-1(37),4(48),5,7,9,13(45),14,16(44),17,19(43),22,24,26,28(40),31(39),32,34(38),35,41,46-icosaene 3,3,11,11,21,21,29,29-octaoxide | 1116341-25-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 5,9,23,27-Tetrakis(3-methylbutoxy)-2,12,20,30-tetraoxa-3lambda6,11lambda6,21lambda6,29lambda6-tetrathianonacyclo[29.5.3.34,10.313,19.322,28.034,38.07,47.016,44.025,41]octatetraconta-1(37),4(48),5,7,9,13(45),14,16(44),17,19(43),22,24,26,28(40),31(39),32,34(38),35,41,46-icosaene 3,3,11,11,21,21,29,29-octaoxide
• 英文别名: 5,9,23,27-tetrakis(3-methylbutoxy)-2,12,20,30-tetraoxa-3λ6,11λ6,21λ6,29λ6-tetrathianonacyclo[29.5.3.34,10.313,19.322,28.034,38.07,47.016,44.025,41]octatetraconta-1(37),4(48),5,7,9,13(45),14,16(44),17,19(43),22,24,26,28(40),31(39),32,34(38),35,41,46-icosaene 3,3,11,11,21,21,29,29-octaoxide
• CAS: 1116341-25-3
• 化学式: C₆₀H₆₄O₁₆S₄
• 分子量: 1169.42
• InChiKey: GZEVFCHULFOYID-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16
• 重原子数：
  80
• 可旋转键数：
  16
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  244
• 氢给体数：
  0
• 氢受体数：
  16

反应信息

• 作为产物：
  描述：

  3,6-bis-(3-methyl-1-butyloxy)-naphthalene-2,7-disulfonyl dichloride 、 2,7-二羟基萘 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 以15.5%的产率得到5,9,23,27-Tetrakis(3-methylbutoxy)-2,12,20,30-tetraoxa-3lambda6,11lambda6,21lambda6,29lambda6-tetrathianonacyclo[29.5.3.34,10.313,19.322,28.034,38.07,47.016,44.025,41]octatetraconta-1(37),4(48),5,7,9,13(45),14,16(44),17,19(43),22,24,26,28(40),31(39),32,34(38),35,41,46-icosaene 3,3,11,11,21,21,29,29-octaoxide
  参考文献：
  名称：

  One-Pot Formation and Characterization of Macrocyclic Aromatic Tetrasulfonates

  摘要：

  Aromatic tetrasulfonate macrocycles were prepared in one pot by treating arenedisulfonyl chlorides with dihydroxyarenes. X-ray structures revealed that these cyclic molecules have noncollapsible cavities and well-defined conformations resembling the cone and partial cone conformations of calix[4]arenes. Incorporating aromatic residues of different sizes leads to macrocycles with different cavity sizes.

  DOI：

  10.1021/ol8028884

文献信息

• One-Pot Formation and Characterization of Macrocyclic Aromatic Tetrasulfonates
  作者：Mingwei Geng、Dechun Zhang、Xiangxiang Wu、Lan He、Bing Gong

  DOI：10.1021/ol8028884

  日期：2009.2.19

  Aromatic tetrasulfonate macrocycles were prepared in one pot by treating arenedisulfonyl chlorides with dihydroxyarenes. X-ray structures revealed that these cyclic molecules have noncollapsible cavities and well-defined conformations resembling the cone and partial cone conformations of calix[4]arenes. Incorporating aromatic residues of different sizes leads to macrocycles with different cavity sizes.