24,30,36-Tritert-butyl-62,63,64-tripropoxy-6,9,12,15,18,43,46,49,52,55-decaoxaoctacyclo[54.2.2.22,5.120,42.122,26.128,32.134,38.019,40]hexahexaconta-1(59),2(66),3,5(65),19,22,24,26(64),28(63),29,31,34(62),35,37,40,42(61),56(60),57-octadecaene | 910295-32-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 24,30,36-Tritert-butyl-62,63,64-tripropoxy-6,9,12,15,18,43,46,49,52,55-decaoxaoctacyclo[54.2.2.22,5.120,42.122,26.128,32.134,38.019,40]hexahexaconta-1(59),2(66),3,5(65),19,22,24,26(64),28(63),29,31,34(62),35,37,40,42(61),56(60),57-octadecaene
• 英文别名: 24,30,36-tritert-butyl-62,63,64-tripropoxy-6,9,12,15,18,43,46,49,52,55-decaoxaoctacyclo[54.2.2.22,5.120,42.122,26.128,32.134,38.019,40]hexahexaconta-1(59),2(66),3,5(65),19,22,24,26(64),28(63),29,31,34(62),35,37,40,42(61),56(60),57-octadecaene
• CAS: 910295-32-8
• 化学式: C₇₇H₁₀₄O₁₃
• 分子量: 1237.66
• InChiKey: CJPSKINPKVWJAC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.4
• 重原子数：
  90
• 可旋转键数：
  12
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  120
• 氢给体数：
  0
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  1,1′-[1,4-phenylenebis(methylene)]bis(4,4′-bipyridinium) dichloride 、 24,30,36-Tritert-butyl-62,63,64-tripropoxy-6,9,12,15,18,43,46,49,52,55-decaoxaoctacyclo[54.2.2.22,5.120,42.122,26.128,32.134,38.019,40]hexahexaconta-1(59),2(66),3,5(65),19,22,24,26(64),28(63),29,31,34(62),35,37,40,42(61),56(60),57-octadecaene 、 1,4-二(溴甲基)苯 以 乙腈 为溶剂， 反应 144.5h， 以23%的产率得到
  参考文献：
  名称：

  Synthesis and self-assembly of novel calix[4]arenocrowns: formation of calix[4]areno[2]catenanes

  摘要：

  A series of novel calix[4]arenocrowns la-c were efficiently synthesized by a one-pot reaction of calix[4]monohydroquinone diacetate 5 with ditosylate 6 and its analogues in the presence of sodium hydroxide. It was found that the calix[4]arenocrowns could form stable pseudorotaxane-type complexes 2a-c with paraquat, and further self-assemble into calix[4]areno[2]catenanes 3a-C with dicationic salt 8 and p-bis(bromomethyl)benzene. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.06.108
• 作为产物：
  描述：

  11,17,23-Tritert-butyl-25,26,27-tripropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,6,9,11,13(27),15(26),16,18,21(25),22-undecaene-5,28-dione 在 sodium hydroxide 、 溶剂黄146 、 锌 作用下， 以 乙腈 为溶剂， 反应 122.0h， 生成 24,30,36-Tritert-butyl-62,63,64-tripropoxy-6,9,12,15,18,43,46,49,52,55-decaoxaoctacyclo[54.2.2.22,5.120,42.122,26.128,32.134,38.019,40]hexahexaconta-1(59),2(66),3,5(65),19,22,24,26(64),28(63),29,31,34(62),35,37,40,42(61),56(60),57-octadecaene
  参考文献：
  名称：

  Synthesis and self-assembly of novel calix[4]arenocrowns: formation of calix[4]areno[2]catenanes

  摘要：

  A series of novel calix[4]arenocrowns la-c were efficiently synthesized by a one-pot reaction of calix[4]monohydroquinone diacetate 5 with ditosylate 6 and its analogues in the presence of sodium hydroxide. It was found that the calix[4]arenocrowns could form stable pseudorotaxane-type complexes 2a-c with paraquat, and further self-assemble into calix[4]areno[2]catenanes 3a-C with dicationic salt 8 and p-bis(bromomethyl)benzene. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.06.108

文献信息

• Synthesis and self-assembly of novel calix[4]arenocrowns: formation of calix[4]areno[2]catenanes
  作者：Lin-Gang Lu、Guang-Ke Li、Xiao-Xia Peng、Chuan-Feng Chen、Zhi-Tang Huang

  DOI：10.1016/j.tetlet.2006.06.108

  日期：2006.8

  A series of novel calix[4]arenocrowns la-c were efficiently synthesized by a one-pot reaction of calix[4]monohydroquinone diacetate 5 with ditosylate 6 and its analogues in the presence of sodium hydroxide. It was found that the calix[4]arenocrowns could form stable pseudorotaxane-type complexes 2a-c with paraquat, and further self-assemble into calix[4]areno[2]catenanes 3a-C with dicationic salt 8 and p-bis(bromomethyl)benzene. (c) 2006 Elsevier Ltd. All rights reserved.