1,21,23,25-tetrapropyl-7,11,5,28-tetrakis(3-hydroxyphenoxymethyl)-2,20:13,19-methano-1H,21H,23H,25H-bis[1,3]dioxocino[5,4-i:5',4'-i']benzo[1,2-d:5,5-d']bis[1,3]benzodioxocine | 235107-75-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1,21,23,25-tetrapropyl-7,11,5,28-tetrakis(3-hydroxyphenoxymethyl)-2,20:13,19-methano-1H,21H,23H,25H-bis[1,3]dioxocino[5,4-i:5',4'-i']benzo[1,2-d:5,5-d']bis[1,3]benzodioxocine
• 英文别名: 3-[[12,18,39-Tris[(3-hydroxyphenoxy)methyl]-25,29,33,37-tetrapropyl-2,4,8,10,14,16,20,22-octaoxanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(39),5,7(34),11,13(30),17(28),18,23,26,31,35,38(40)-dodecaen-6-yl]methoxy]phenol
• CAS: 235107-75-2
• 化学式: C₇₂H₇₂O₁₆
• 分子量: 1193.35
• InChiKey: AHNQYRSQKLDUAE-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：
  20
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  192
• 氢给体数：
  4
• 氢受体数：
  16

反应信息

• 作为反应物：
  描述：

  四氟对苯二腈 、 1,21,23,25-tetrapropyl-7,11,5,28-tetrakis(3-hydroxyphenoxymethyl)-2,20:13,19-methano-1H,21H,23H,25H-bis[1,3]dioxocino[5,4-i:5',4'-i']benzo[1,2-d:5,5-d']bis[1,3]benzodioxocine 在 sodium carbonate 作用下， 以 二甲基亚砜 为溶剂， 以10%的产率得到
  参考文献：
  名称：

  Versatile cavitands for small molecules: the entropically driven ethanol selectivity

  摘要：

  Two new C-2, cavitands based on resorcin[4]arene were synthesized and their binding properties for nine small molecules were studied. The alcohol selectivity was in the order of CH3OH similar to CH3CHOHCH3 CH3CH2OH with the highest K-a = 260 M-1 at 23 degreesC in CDCl3. Their carceroisomerism was observed by H-1 NMR spectra and the quinone-capped cavitand's complexation of ethanol was driven entropically. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(01)00023-5
• 作为产物：
  描述：

  1,21,23,25-tetrapropyl-7,11,5,28-tetrakis(bromomethyl)-2,20:13,19-methano-1H,21H,23H,25H-bis[1,3]dioxocino[5,4-i:5',4'-i']benzo[1,2-d:5,5-d']bis[1,3]benzodioxocine 、 间苯二酚 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以52%的产率得到1,21,23,25-tetrapropyl-7,11,5,28-tetrakis(3-hydroxyphenoxymethyl)-2,20:13,19-methano-1H,21H,23H,25H-bis[1,3]dioxocino[5,4-i:5',4'-i']benzo[1,2-d:5,5-d']bis[1,3]benzodioxocine
  参考文献：
  名称：

  简便合成和结合特性C ^ 2 ν基于间苯二酚容器主机[4]芳烃

  摘要：

  两个新的c ^ 2 ν容器主机通过儿茶酚或间苯二酚围栏间苯二酚[4]的合成加帽与芳烃1,2,4,5-四（溴甲基）苯和其k个一值是从直接计算1 1 H NMR光谱。这些主体在-40℃下在CDCl 3或（CDCl 2）2中显示出对烷基醇，二氯甲烷和四氢呋喃的结合特性。

  DOI：

  10.1016/s0040-4039(99)00847-3

文献信息

• Ihm, Chaesang; Kim, Minkyu; Ihm, Hyejae, Journal of the Chemical Society. Perkin Transactions 2 (2001), 1999, # 8, p. 1569 - 1575
  作者：Ihm, Chaesang、Kim, Minkyu、Ihm, Hyejae、Paek, Kyungsoo

  DOI：——

  日期：——
• Molecular engineering. Part 9: Enhanced binding ability and selectivity of C2v cavitands
  作者：Hyejae Ihm、Soo-Jin Hwang、Kyungsoo Paek

  DOI：10.1016/j.tetlet.2004.10.005

  日期：2004.11

  Two new C-2v cavitands with protective side chains were synthesized and their binding properties for small molecules were studied. Cavitand 7 having benzyl side chains binds ethanol most strongly with K-a = 1508 M-1 at 20degreesC in CDCl3, which was driven entropically. Cavitand 8 having coumarinyl side chains showed weaker binding due to its steric hindrance. H-1 NMR spectra show that carceroisomers of ethanol or acetonitrile@cavitand 7 exist in 3:1 ratio at 20degreesC. The binding tendencies of the guest molecules were increased in nonpolar solvent media. (C) 2004 Elsevier Ltd. All rights reserved.