45,51,57-Tritert-butyl-62,63,64-tripropoxy-3,6,9,12,15,26,29,32,35,38-decaoxaoctacyclo[37.21.1.143,47.149,53.155,59.02,41.016,21.020,25]tetrahexaconta-1,16,18,20,22,24,39(61),40,43,45,47(64),49,51,53(63),55(62),56,58-heptadecaene | 910295-31-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 45,51,57-Tritert-butyl-62,63,64-tripropoxy-3,6,9,12,15,26,29,32,35,38-decaoxaoctacyclo[37.21.1.143,47.149,53.155,59.02,41.016,21.020,25]tetrahexaconta-1,16,18,20,22,24,39(61),40,43,45,47(64),49,51,53(63),55(62),56,58-heptadecaene
• 英文别名: 45,51,57-tritert-butyl-62,63,64-tripropoxy-3,6,9,12,15,26,29,32,35,38-decaoxaoctacyclo[37.21.1.143,47.149,53.155,59.02,41.016,21.020,25]tetrahexaconta-1,16,18,20,22,24,39(61),40,43,45,47(64),49,51,53(63),55(62),56,58-heptadecaene
• CAS: 910295-31-7
• 化学式: C₇₅H₁₀₂O₁₃
• 分子量: 1211.63
• InChiKey: XKYGGIPOQREGJD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17
• 重原子数：
  88
• 可旋转键数：
  12
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.55
• 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 、 45,51,57-Tritert-butyl-62,63,64-tripropoxy-3,6,9,12,15,26,29,32,35,38-decaoxaoctacyclo[37.21.1.143,47.149,53.155,59.02,41.016,21.020,25]tetrahexaconta-1,16,18,20,22,24,39(61),40,43,45,47(64),49,51,53(63),55(62),56,58-heptadecaene 、 1,4-二(溴甲基)苯 以 乙腈 为溶剂， 反应 144.5h， 以30%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 45,51,57-Tritert-butyl-62,63,64-tripropoxy-3,6,9,12,15,26,29,32,35,38-decaoxaoctacyclo[37.21.1.143,47.149,53.155,59.02,41.016,21.020,25]tetrahexaconta-1,16,18,20,22,24,39(61),40,43,45,47(64),49,51,53(63),55(62),56,58-heptadecaene
  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.