C-undecylcavitandmonol | 301168-13-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: C-undecylcavitandmonol
• 英文别名: 25,29,33,37-Tetra(undecyl)-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(38),5,7(34),11(32),12,17(28),18,23(39),24(40),26,30,35-dodecaen-6-ol
• CAS: 301168-13-8
• 化学式: C₇₆H₁₁₂O₉
• 分子量: 1169.72
• InChiKey: ZQFNGXMNEUEUJH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  29.6
• 重原子数：
  85
• 可旋转键数：
  40
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  94.1
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  2,2'-bipyridyl-4,4'-dicarboxylic acid chloride 、 C-undecylcavitandmonol 在 三乙胺 作用下， 以 氯仿 为溶剂， 以75%的产率得到[25,29,33,37-Tetra(undecyl)-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(38),5,7(34),11(32),12,17(28),18,23(39),24(40),26,30,35-dodecaen-6-yl] 2-[4-[[25,29,33,37-tetra(undecyl)-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(38),5,7(34),11(32),12,17(28),18,23(39),24(40),26,30,35-dodecaen-6-yl]oxycarbonyl]pyridin-2-yl]pyridine-4-carboxylate
  参考文献：
  名称：

  Synthesis and recognition behaviour of allosteric hemicarcerands

  摘要：

  Bipyridine bridged bis(resorcinarenes) have been prepared. Upon co-ordinating to a transition metal ion. e.g. Ag+, the respective metal complex forms a hemicarcerand-like structure with the two resorcinarene moieties capable of binding non-polar organic molecules in a co-operative fashion, as shown qualitatively by NMR spectroscopy. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)00086-2
• 作为产物：
  描述：

  6,12,18,39-Tetrabromo-25,29,33,37-tetra(undecyl)-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)-dodecaene 以50%的产率得到C-undecylcavitandmonol
  参考文献：
  名称：

  Optimized Synthesis of Cavitand Phenol Bowls

  摘要：

  DOI：

  10.1021/jo0004456