| 1018363-64-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1018363-64-8
• 化学式: C₁₈H₂₃NO*F₆P*H
• 分子量: 415.359
• InChiKey: PHQHMEFDYGNRKS-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  6.92
• 重原子数：
  27.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  23.47
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  、 二苯并-24-冠醚-8 、 3,5-dimethylbenzoic anhydride 在 三丁基膦 作用下， 以 氯仿 为溶剂， 反应 48.0h， 以3%的产率得到
  参考文献：
  名称：

  Crown ether–tert-ammonium salt complex fixed as rotaxane and its derivation to nonionic rotaxane

  摘要：

  First rotaxane having tert-ammonium axle was prepared from tert-ammonium salt axle and dibenzo-24-crown-8-ether (DB24C8) wheel, suggesting that tert-ammonium salt axle forms the corresponding threaded complex with a crown ether. Same rotaxane was obtained quantitatively by N-methylation of sec-ammonium-type rotaxane. The tert-ammonium-type rotaxane was neutralized with amine base to tert-amine-type rotaxane in 100% yield, indicating the first isolation of 'nonionic' amine-type rotaxane. The reversible protonation and deprotonation of tert-amine-type rotaxane were achieved. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.02.073