29,32-bis(phenylmethoxy)-2,20,25,35-tetrakis(1,1-dimethylethyl)-6,7,9,10,12,13,15,16-octahydro-28H-4,18-(methano<1,3>benzenomethano)-23,27-metheno-22H-dibenzo-<1,4,7,10,13>pentaoxacyclotetracosin | 122333-60-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 29,32-bis(phenylmethoxy)-2,20,25,35-tetrakis(1,1-dimethylethyl)-6,7,9,10,12,13,15,16-octahydro-28H-4,18-(methano<1,3>benzenomethano)-23,27-metheno-22H-dibenzo-<1,4,7,10,13>pentaoxacyclotetracosin
• 英文别名: 2,20,25,35-Tetrakis(1,1-dimethylethyl)-6,7,9,10,12,13,15,16-octahydro-28H-(methano<1,3>benzenomethano)-23,27-metheno-29,32-bis(phenylmethoxy)-22H-dibenzo<1,4,5,10,13>pentaoxacyclotetracosin；29,32-bis(phenylmethoxy)-2,20,25,35-tetrakis(1,1-dimethylethyl)-6,7,9,10,12,13,15,16-octahydro-28H-4,18-(methano[1,3]benzenomethano)-23,27-metheno-22H-dibenzo-[n,w][1,4,7,10,13]pentaoxacyclotetracosin；2,20,25,35-Tetrakis(1,1-dimethylethyl)-6,7,9,10,12,13,15,16-octahydro-28H-(methano[1,3]benzenomethano)-23,27-metheno-29,32-bis(phenylmethoxy)-22H-dibenzo[n,w][1,4,5,10,13]pentaoxacyclotetracosin；19,25,31,36-Tetratert-butyl-40,41-bis(phenylmethoxy)-3,6,9,12,15-pentaoxahexacyclo[15.15.7.123,27.134,38.02,29.016,21]hentetraconta-1,16,18,20,23(41),24,26,29,31,34,36,38(40)-dodecaene；19,25,31,36-tetratert-butyl-40,41-bis(phenylmethoxy)-3,6,9,12,15-pentaoxahexacyclo[15.15.7.123,27.134,38.02,29.016,21]hentetraconta-1,16,18,20,23(41),24,26,29,31,34,36,38(40)-dodecaene
• CAS: 122333-60-2；129445-69-8；129445-71-2
• 化学式: C₆₆H₈₂O₇
• 分子量: 987.373
• InChiKey: IGBAUXOPDZHCAD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.6
• 重原子数：
  73
• 可旋转键数：
  10
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  64.6
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  4-甲基苯磺酸苯基甲基酯 在 sodium hydride 、 potassium carbonate 作用下， 以 丙酮 、 甲苯 为溶剂， 反应 11.5h， 生成 29,32-bis(phenylmethoxy)-2,20,25,35-tetrakis(1,1-dimethylethyl)-6,7,9,10,12,13,15,16-octahydro-28H-4,18-(methano<1,3>benzenomethano)-23,27-metheno-22H-dibenzo-<1,4,7,10,13>pentaoxacyclotetracosin
  参考文献：
  名称：

  Kinetically stable complexes of alkali cations with rigidified calix[4]arenes: synthesis, x-ray structures, and complexation of calixcrowns and calixspherands

  摘要：

  DOI：

  10.1021/ja00201a045

文献信息

• Complexation of alkali metal cations by conformationally rigid, stereoisomeric calix[4]arene crown ethers: a quantitative evaluation of preorganization
  作者：Eleonora Ghidini、Franco Ugozzoli、Rocco Ungaro、Sybolt Harkema、A. Abu El-Fadl、David N. Reinhoudt

  DOI：10.1021/ja00175a035

  日期：1990.9

  bridging of p-tert-butylcalix[4]arene (1) with tetra- and pentaethylene glycol ditosylate gives the 1,3- dihydroxy-p-tert-butylcalix[4]arene crown ethers 7 and 9 in good yields. The subsequent alkylation of the two phenolic groups of 7 and 9 with substituents (R) bulkier than CH 3 gives a series of conformationally rigid 1,3-dialkoxy-p-tert-butylcalix[4]arene crown ethers.

  对叔丁基杯 [4] 芳烃 (1) 与四和五乙二醇二甲苯磺酸酯的选择性桥接得到 1,3- 二羟基-对叔丁基杯[4] 芳烃冠醚 7 和 9，收率良好。随后用比 CH 3 更大的取代基 (R) 对 7 和 9 的两个酚基进行烷基化，得到一系列构象刚性的 1,3-二烷氧基-对叔丁基杯[4] 芳烃冠醚。
• Kinetically stable complexes of alkali cations with rigidified calix[4]arenes: synthesis, x-ray structures, and complexation of calixcrowns and calixspherands
  作者：Pieter J. Dijkstra、Jos A. J. Brunink、Kjell Erik Bugge、David N. Reinhoudt、Sybolt Harkema、Rocco Ungaro、Franco Ugozzoli、Eleonora Ghidini

  DOI：10.1021/ja00201a045

  日期：1989.9