4,9,14,19,24,26,28,30,32-Nonamethoxy-34-[[4-[(9,14,19,24,26,28,30,32,34-nonamethoxy-4-hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(26),3(35),4,6(34),8,10,13,15,18(29),19,21(28),23(27),24,30,32-pentadecaenyl)oxymethyl]phenyl]methoxy]hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(26),3,5,8,10,13,15,18(29),19,21(28),23(27),24,30,32,34-pentadecaene | 1333144-21-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4,9,14,19,24,26,28,30,32-Nonamethoxy-34-[[4-[(9,14,19,24,26,28,30,32,34-nonamethoxy-4-hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(26),3(35),4,6(34),8,10,13,15,18(29),19,21(28),23(27),24,30,32-pentadecaenyl)oxymethyl]phenyl]methoxy]hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(26),3,5,8,10,13,15,18(29),19,21(28),23(27),24,30,32,34-pentadecaene
• 英文别名: 4,9,14,19,24,26,28,30,32-nonamethoxy-34-[[4-[(9,14,19,24,26,28,30,32,34-nonamethoxy-4-hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(26),3(35),4,6(34),8,10,13,15,18(29),19,21(28),23(27),24,30,32-pentadecaenyl)oxymethyl]phenyl]methoxy]hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(26),3,5,8,10,13,15,18(29),19,21(28),23(27),24,30,32,34-pentadecaene
• CAS: 1333144-21-0
• 化学式: C₉₆H₁₀₂O₂₀
• 分子量: 1575.85
• InChiKey: ZNAHNKQGFLAIAS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  19.7
• 重原子数：
  116
• 可旋转键数：
  24
• 环数：
  31.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  185
• 氢给体数：
  0
• 氢受体数：
  20

反应信息

• 作为反应物：
  描述：

  正辛烷 、 4,9,14,19,24,26,28,30,32-Nonamethoxy-34-[[4-[(9,14,19,24,26,28,30,32,34-nonamethoxy-4-hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(26),3(35),4,6(34),8,10,13,15,18(29),19,21(28),23(27),24,30,32-pentadecaenyl)oxymethyl]phenyl]methoxy]hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(26),3,5,8,10,13,15,18(29),19,21(28),23(27),24,30,32,34-pentadecaene 以 氘代氯仿 为溶剂， 生成 1,4-bis(((15,32,35,52,55,72,75,92,95-nonamethoxy-1,3,5,7,9(1,4)-pentabenzenacyclodecaphane-12-yl)oxy)methyl)benzene compound with octane (1:1)
  参考文献：
  名称：

  Selective complexation of n-alkanes with pillar[5]arene dimers in organic media

  摘要：

  通过连接单羟基柱[5]炔和 1,4-双（溴甲基）苯，合成了柱[5]炔二聚体。与单体柱[5]炔相比，柱[5]炔二聚体与正烷烃形成的络合物更强。

  DOI：

  10.1039/c1cc14395f
• 作为产物：
  描述：

  1,4-二(溴甲基)苯 、 4-hydroxy-8,14,18,23,26,28,31,32,35-nonamethoxypillar[5]arene 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 48.0h， 以69%的产率得到4,9,14,19,24,26,28,30,32-Nonamethoxy-34-[[4-[(9,14,19,24,26,28,30,32,34-nonamethoxy-4-hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(26),3(35),4,6(34),8,10,13,15,18(29),19,21(28),23(27),24,30,32-pentadecaenyl)oxymethyl]phenyl]methoxy]hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(26),3,5,8,10,13,15,18(29),19,21(28),23(27),24,30,32,34-pentadecaene
  参考文献：
  名称：

  Selective complexation of n-alkanes with pillar[5]arene dimers in organic media

  摘要：

  通过连接单羟基柱[5]炔和 1,4-双（溴甲基）苯，合成了柱[5]炔二聚体。与单体柱[5]炔相比，柱[5]炔二聚体与正烷烃形成的络合物更强。

  DOI：

  10.1039/c1cc14395f

文献信息

• Synthesis of Pillar[5]arene Dimers and Their Cooperative Binding toward Some Neutral Guests
  作者：Chunju Li、Kang Han、Jian Li、Haichang Zhang、Junwei Ma、Xiaoyan Shu、Zhenxia Chen、Linhong Weng、Xueshun Jia

  DOI：10.1021/ol2027834

  日期：2012.1.6

  Three pillar[5]arene dimers, bridged by a flexible aliphatic chain (H1) or a relatively rigid phenylene unit (H2 and H3), were synthesized, with the possible synthetic strategies being discussed. The dimers could significantly enhance the binding affinities toward neutral model substrates in comparison with monomeric 1,4-dimethoxypillar[5]arene (H4) through the cooperative binding of two pillar[5]arene moieties. The molecular binding ability and selectivity are discussed from the viewpoints of the size/shape-fit concept and multiple recognition mechanism.
• Selective complexation of n-alkanes with pillar[5]arene dimers in organic media
  作者：Tomoki Ogoshi、Kazuki Demachi、Keisuke Kitajima、Tada-aki Yamagishi

  DOI：10.1039/c1cc14395f

  日期：——

  A pillar[5]arene dimer was synthesized by linking a mono-hydroxylated pillar[5]arene with 1,4-bis(bromomethyl)benzene. The pillar[5]arene dimer formed stronger complexes with n-alkanes than did a monomeric pillar[5]arene.

  通过连接单羟基柱[5]炔和 1,4-双（溴甲基）苯，合成了柱[5]炔二聚体。与单体柱[5]炔相比，柱[5]炔二聚体与正烷烃形成的络合物更强。