17,23,29-trimethyl-31,32,33,34,35-pentahydroxycalix[5]arene | 903896-48-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 17,23,29-trimethyl-31,32,33,34,35-pentahydroxycalix[5]arene
• 英文别名: 5,11,17-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),21,23,25(32),27(31),28-pentadecaene-31,32,33,34,35-pentol；5,11,17-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),21,23,25(32),27(31),28-pentadecaene-31,32,33,34,35-pentol
• CAS: 903896-48-0
• 化学式: C₃₈H₃₆O₅
• 分子量: 572.701
• InChiKey: KGBGSOWQACUPRK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.9
• 重原子数：
  43
• 可旋转键数：
  0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.21
• 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：

  17,23,29-trimethyl-31,32,33,34,35-pentahydroxycalix[5]arene 在 N,N,N-trimethylbenzenemethanaminium dichloroiodate 、 calcium carbonate 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 2.0h， 以81%的产率得到5,11-diiodo-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：

  bis(5-tert-butyl-2-hydroxy-3-hydroxymethyl-phenyl)methane 在 三氯化铝 、 苯酚 作用下， 以 甲苯 、 xylene 为溶剂， 反应 49.0h， 生成 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.