| 1414890-17-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 1414890-17-7
• 化学式: C₁₆₂H₃₁₂O₈₄
• 分子量: 3604.21
• InChiKey: OFKYFMMGBPXKPH-ROINKBIGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.38
• 重原子数：
  246.0
• 可旋转键数：
  186.0
• 环数：
  22.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  775.32
• 氢给体数：
  0.0
• 氢受体数：
  84.0

反应信息

• 作为产物：
  描述：

  对甲苯磺酸三缩乙二醇单甲醚酯 、 α-环糊精 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 49.0h， 以20%的产率得到
  参考文献：
  名称：

  Cyclic Host Liquids for Facile and High-Yield Synthesis of [2]Rotaxanes

  摘要：

  We developed "cyclic host liquids (CHLs)" as a new type of solvent. The CHLs are a nonvolatile liquid over a wide temperature range, are biocompatible and recyclable, have high thermal stability, and are miscible with many organic solvents. Compared with typical complexation systems, the CHL system is extremely efficient for maintaining host-guest complexation because an additional solvent is not required. Based on the efficient host-guest complexation in the CHL system, we demonstrated synthesis of [2]rotaxanes in pillar[5]arene-based CHL. High yields were obtained for [2]rotaxanes capped by cationization (yield 91%) and Huisgen reaction (yield 88%) between the axle and the stopper components in the CHL system, while the association constants between the axles and wheels were quite low (10-15 W-1) in CDCl3. The CHL system provides a new powerful approach for synthesis of mechanically interlocked molecules (MIMs) even with unfavorable statistical combinations of host-guest complexes.

  DOI：

  10.1021/ja310757p