(1R,2S)-ephedrinium (RS)-methoxytrifluoromethylphenylacetate | 1205070-25-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (1R,2S)-ephedrinium (RS)-methoxytrifluoromethylphenylacetate
• CAS: 1205070-25-2
• 化学式: C₁₀H₉F₃O₃*C₁₀H₁₅NO
• 分子量: 399.41
• InChiKey: DRXKLXSEJIXZAX-CGUPRBNSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  28.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  78.79
• 氢给体数：
  3.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  麻黄碱 、 (±)-α-甲氧基-α-(三氟甲基)苯乙酸 以 二氯甲烷 为溶剂， 反应 1.0h， 以100%的产率得到(1R,2S)-ephedrinium (RS)-methoxytrifluoromethylphenylacetate
  参考文献：
  名称：

  Aggregation behaviour of chiral ionic liquids

  摘要：

  The diastereomeric ionic liquid (IL) (1R,2S)-ephedrinium (RS)-methoxytrifluorophenylacetate 1 was synthesized and its aggregation behavior and diastereomeric interaction were investigated using two independent methods. The aggregation number of the IL in methylene chloride was determined by diffusion ordered NMR spectroscopy. Furthermore the concentration dependence of the signal split of the two diastereomeric ILs (1R,2S)-ephedrinium (R)-methoxytrifluorophenylacetate and (IR,2S)-ephedrinium (S)-methoxytrifluorophenylacetate was measured and could be linked to the aggregation number. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2009.10.010