double resorcin[4]arene

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: double resorcin[4]arene
• 英文别名: 5,11,17-Trihexyl-23-[2-(11,17,23-trihexyl-4,6,10,12,16,18,22,24-octahydroxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaenyl)ethyl]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene-4,6,10,12,16,18,22,24-octol；5,11,17-trihexyl-23-[2-(11,17,23-trihexyl-4,6,10,12,16,18,22,24-octahydroxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaenyl)ethyl]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene-4,6,10,12,16,18,22,24-octol
• 化学式: C₉₄H₁₂₂O₁₆
• 分子量: 1507.99
• InChiKey: ZYWNZPXLIIJSQW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  27.8
• 重原子数：
  110
• 可旋转键数：
  33
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  324
• 氢给体数：
  16
• 氢受体数：
  16

反应信息

• 作为产物：
  描述：

  二乙氧基甲烷 、 2-己基苯-1,3-二醇 、 bis-1,2-(2,6-dihydroxyphenyl)ethane 在 scandium tris(trifluoromethanesulfonate) 作用下， 以 乙腈 为溶剂， 反应 3.0h， 以29%的产率得到double resorcin[4]arene
  参考文献：
  名称：

  Singly bridged double resorcin[4]arene bearing sixteen hydroxyl groups. Formation of capsular-type inclusion complexes in methanol

  摘要：

  The Sc(OTf)(3)-catalyzed mixed cyclocondensation of bis-1,2-(2,6-dihydroxyphenyl)ethane and 2-hexylresorcinol gave a singly bridged double-resorcinarene bearing sixteen hydroxyl groups at the peripheral positions. In methanol, the double-resorcinarene binds quaternary ammonium ions to form capsular-type 1:1 complexes. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2003.08.049

文献信息

• Singly bridged double resorcin[4]arene bearing sixteen hydroxyl groups. Formation of capsular-type inclusion complexes in methanol
  作者：Hisatoshi Konishi、Osamu Morikawa、Kazuhiro Kobayashi、Kazuyuki Abe、Atsushi Ohkubo

  DOI：10.1016/j.tetlet.2003.08.049

  日期：2003.9

  The Sc(OTf)(3)-catalyzed mixed cyclocondensation of bis-1,2-(2,6-dihydroxyphenyl)ethane and 2-hexylresorcinol gave a singly bridged double-resorcinarene bearing sixteen hydroxyl groups at the peripheral positions. In methanol, the double-resorcinarene binds quaternary ammonium ions to form capsular-type 1:1 complexes. (C) 2003 Elsevier Ltd. All rights reserved.