1,21,23,25-tetrapropyl-7,11,25,28-tetrakis(imidazolylmethyl)-2,20:3,19-dimethano-1H,21H,23H,25H-bis[1,3]dioxocino[5,4-i:5',4'-i']benzo[1,2-d:5,4-d']bis[1,3]benzodioxocine | 208597-96-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1,21,23,25-tetrapropyl-7,11,25,28-tetrakis(imidazolylmethyl)-2,20:3,19-dimethano-1H,21H,23H,25H-bis[1,3]dioxocino[5,4-i:5',4'-i']benzo[1,2-d:5,4-d']bis[1,3]benzodioxocine
• 英文别名: 1-[[12,18,39-Tris(imidazol-1-ylmethyl)-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]methyl]imidazole；1-[[12,18,39-tris(imidazol-1-ylmethyl)-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]methyl]imidazole
• CAS: 208597-96-0
• 化学式: C₆₀H₆₄N₈O₈
• 分子量: 1025.22
• InChiKey: DOQOKZLDTLAPRM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.3
• 重原子数：
  76
• 可旋转键数：
  16
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  145
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  咪唑 、 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 以 乙腈 为溶剂， 反应 1.5h， 以55%的产率得到1,21,23,25-tetrapropyl-7,11,25,28-tetrakis(imidazolylmethyl)-2,20:3,19-dimethano-1H,21H,23H,25H-bis[1,3]dioxocino[5,4-i:5',4'-i']benzo[1,2-d:5,4-d']bis[1,3]benzodioxocine
  参考文献：
  名称：

  分子工程。第7部分。具有四个芳香族sp 2氮作为盐结合配体的Cavitands

  摘要：

  九种基于间苯二酚[4]芳烃或 杯[4]芳烃并具有四个芳香族sp 2 氮 作为盐结合 配体被设计和表征。结构坚固空泡蛋白 基于间苯二酚[4]芳烃显示出更高的对金属的亲和力 阳离子 与那些基于弹性的 杯[4]芳烃。特别是，咪唑基cavitand 7对碱金属阳离子（-Δ ģ °= 7.0-10.9千卡摩尔-1）和pyrazolylcavitand 8显示出对不寻常的高选择性银阳离子，这可能是由于它们的绑定方式不同，分别是嵌套方式与包容方式不同。

  DOI：

  10.1039/b100490p

文献信息

• New salt binders whose ligands were composed of four aromatic sp2 nitrogens and purely based on a cavitand
  作者：Jaehyung Yoon、Kyungsoo Paek

  DOI：10.1016/s0040-4039(98)00448-1

  日期：1998.5

  New salt binders whose ligands were composed of four aromatic sp? nitrogens and purely based on a cavitand were efficiently synthesized and characterized. Imidazolylcavitand 3 showed high affinity for picrate salts (-Delta G(degrees)=7.0 similar to 11.0 kcal mol(-1)) and pyrazolylcavitand 4 showed unusual high selectivity for silver picrate. (C) 1998 Elsevier Science Ltd. All rights reserved.
• Molecular engineering. Part 7. Cavitands having four aromatic sp2 nitrogens as salt binding ligands
  作者：Kyungsoo Paek、Jaehyung Yoon、Yongju Suh

  DOI：10.1039/b100490p

  日期：——

  Nine new salt binders built on resorcin[4]arene or calix[4]arene and having four aromatic sp2 nitrogens as salt binding ligands were designed and characterized. Structurally rigid cavitands based on resorcin[4]arene showed much higher affinities toward metal cations compared to those based on flexible calix[4]arene. In particular, imidazolylcavitand 7 showed high affinity for alkali metal cations (−ΔG° = 7

  九种基于间苯二酚[4]芳烃或 杯[4]芳烃并具有四个芳香族sp 2 氮 作为盐结合 配体被设计和表征。结构坚固空泡蛋白 基于间苯二酚[4]芳烃显示出更高的对金属的亲和力 阳离子 与那些基于弹性的 杯[4]芳烃。特别是，咪唑基cavitand 7对碱金属阳离子（-Δ ģ °= 7.0-10.9千卡摩尔-1）和pyrazolylcavitand 8显示出对不寻常的高选择性银阳离子，这可能是由于它们的绑定方式不同，分别是嵌套方式与包容方式不同。