[(1R,4R,5R,8S)-4-ethoxy-2,6-dioxabicyclo[3.3.0]octan-8-yl]dimethyl(benzyl)ammonium iodide | 1030601-18-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 呋喃类
• 英文名称: [(1R,4R,5R,8S)-4-ethoxy-2,6-dioxabicyclo[3.3.0]octan-8-yl]dimethyl(benzyl)ammonium iodide
• CAS: 1030601-18-3
• 化学式: C₁₇H₂₆NO₃*I
• 分子量: 419.303
• InChiKey: XEHMDIGWNNDGIO-FIDMRQBBSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.16
• 重原子数：
  22.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  27.69
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  (1R,4R,5R,8S)-4-ethoxy-8-(benzylamino)-2,6-dioxabicyclo[3.3.0]octane 、 碘甲烷 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 14.0h， 以83%的产率得到[(1R,4R,5R,8S)-4-ethoxy-2,6-dioxabicyclo[3.3.0]octan-8-yl]dimethyl(benzyl)ammonium iodide
  参考文献：
  名称：

  Novel carbohydrate-based chiral ammonium ionic liquids derived from isomannide

  摘要：

  This report describes the synthesis and characterization of novel carbohydrate-based chiral ammonium ionic liquids using isomannide as a biorenewable substrate. The diastereomeric interactions of these chiral ammonium ionic liquids with racemic Mosher's acid salt have been studied using NMR, which indicates their participation in chiral discrimination and shows their potential applications in chiral resolution. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2008.02.009