5,11-di-tert-butyl-17,23,29-trimethyl-31,32,33,34,35-pentahydroxycalix[5]arene | 903896-45-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 5,11-di-tert-butyl-17,23,29-trimethyl-31,32,33,34,35-pentahydroxycalix[5]arene
• 英文别名: 5,11-Ditert-butyl-17,23,29-trimethylhexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3(35),4,6,9,11,13(34),15,17,19(33),21(32),22,24,27(31),28-pentadecaene-31,32,33,34,35-pentol；5,11-ditert-butyl-17,23,29-trimethylhexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3(35),4,6,9,11,13(34),15,17,19(33),21(32),22,24,27(31),28-pentadecaene-31,32,33,34,35-pentol
• CAS: 903896-45-7
• 化学式: C₄₆H₅₂O₅
• 分子量: 684.916
• InChiKey: NYWGPHXDKKWYNE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.3
• 重原子数：
  51
• 可旋转键数：
  2
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  101
• 氢给体数：
  5
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5,11-di-tert-butyl-17,23,29-trimethyl-31,32,33,34,35-pentahydroxycalix[5]arene 在 三氯化铝 、 苯酚 作用下， 以 甲苯 为溶剂， 反应 1.0h， 以56%的产率得到17,23,29-trimethyl-31,32,33,34,35-pentahydroxycalix[5]arene
  参考文献：
  名称：

  A New Calix[5]arene-Based Container:  Selective Extraction of Higher Fullerenes

  摘要：

  A new double calix[5] arene successfully extracts higher fullerenes from fullerene mixtures. The syn isomer of the double calix[5] arene selectively captures higher fullerenes from fullerene mixtures. The elevation of the temperature more than 100 degrees C stimulates its conformational change to the anti isomer, bringing liberation of the captured higher fullerenes.

  DOI：

  10.1021/ol061269b
• 作为产物：
  描述：

  双（2-羟基-5-五甲基）-4-甲基酚 、 bis(5-tert-butyl-2-hydroxy-3-hydroxymethyl-phenyl)methane 以 xylene 为溶剂， 反应 48.0h， 以23%的产率得到5,11-di-tert-butyl-17,23,29-trimethyl-31,32,33,34,35-pentahydroxycalix[5]arene
  参考文献：
  名称：

  A New Calix[5]arene-Based Container:  Selective Extraction of Higher Fullerenes

  摘要：

  A new double calix[5] arene successfully extracts higher fullerenes from fullerene mixtures. The syn isomer of the double calix[5] arene selectively captures higher fullerenes from fullerene mixtures. The elevation of the temperature more than 100 degrees C stimulates its conformational change to the anti isomer, bringing liberation of the captured higher fullerenes.

  DOI：

  10.1021/ol061269b

文献信息

• A New Calix[5]arene-Based Container:  Selective Extraction of Higher Fullerenes
  作者：Takeharu Haino、Chigusa Fukunaga、Yoshimasa Fukazawa

  DOI：10.1021/ol061269b

  日期：2006.8.1

  A new double calix[5] arene successfully extracts higher fullerenes from fullerene mixtures. The syn isomer of the double calix[5] arene selectively captures higher fullerenes from fullerene mixtures. The elevation of the temperature more than 100 degrees C stimulates its conformational change to the anti isomer, bringing liberation of the captured higher fullerenes.