2-[[(2S,3S)-3-(2-ethoxyphenoxy)-2-hydroxy-3-phenylpropyl]-(2-sulfooxyethyl)amino]ethyl hydrogen sulfate | 1250978-75-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-[[(2S,3S)-3-(2-ethoxyphenoxy)-2-hydroxy-3-phenylpropyl]-(2-sulfooxyethyl)amino]ethyl hydrogen sulfate
• CAS: 1250978-75-6
• 化学式: C₂₁H₂₉NO₁₁S₂
• 分子量: 535.593
• InChiKey: ZQMHNYOVCHTKRP-RXVVDRJESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.2
• 重原子数：
  35
• 可旋转键数：
  16
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  186
• 氢给体数：
  3
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  1,3,2-二噁唑噻吩-2,2-二氧化物 、 (+)-(2S,3S)-1-amino-3-(2-ethoxyphenoxy)-2-hydroxy-3-phenylpropane 生成 {[(2S,3S)-3-(2-ethoxyphenoxy)-2-hydroxy-3-phenylpropyl]amino}ethyl hydrogen sulfate 、 2-[[(2S,3S)-3-(2-ethoxyphenoxy)-2-hydroxy-3-phenylpropyl]-(2-sulfooxyethyl)amino]ethyl hydrogen sulfate
  参考文献：
  名称：

  Application of a process friendly morpholine synthesis to (S,S)-Reboxetine

  摘要：

  We report our results on the construction of a morpholine ring system from the corresponding epoxide and amino alcohol. From this study, we were able to convert a previous four-step synthesis into a more efficient two-step process. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.07.106

文献信息

• Application of a process friendly morpholine synthesis to (S,S)-Reboxetine
  作者：Georges Assaf、Gemma Cansell、Doug Critcher、Stuart Field、Stewart Hayes、Suju Mathew、Alan Pettman

  DOI：10.1016/j.tetlet.2010.07.106

  日期：2010.9

  We report our results on the construction of a morpholine ring system from the corresponding epoxide and amino alcohol. From this study, we were able to convert a previous four-step synthesis into a more efficient two-step process. (C) 2010 Elsevier Ltd. All rights reserved.