benzyl 2-(1-(2-methoxyphenyl)methyl-2,2,2-trifluoro-1-hydroxyethyl)morpholine-4-carboxylate | 1357565-88-8

• 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: benzyl 2-(1-(2-methoxyphenyl)methyl-2,2,2-trifluoro-1-hydroxyethyl)morpholine-4-carboxylate
• CAS: 1357565-88-8
• 化学式: C₂₂H₂₄F₃NO₅
• 分子量: 439.431
• InChiKey: SAQHRYJSAZNXOW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.57
• 重原子数：
  31.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  68.23
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  benzyl 2-(1-(2-methoxyphenyl)methyl-2,2,2-trifluoro-1-hydroxyethyl)morpholine-4-carboxylate 在 palladium on activated charcoal 、 氢气 、 盐酸 作用下， 以 甲醇 、 乙醇 为溶剂， 反应 0.5h， 以83%的产率得到1,1,1-trifluoro-3-(2-methoxyphenyl)-2-(morpholin-2-yl)-propan-2-ol hydrochloride
  参考文献：
  名称：

  Synthesis and evaluation of fluorinated analogues of monoamine reuptake inhibitors

  摘要：

  The synthesis of two series of fluorinated analogues of monoamines reuptake inhibitors based on tertiary alcohols 2-substituted morpholines scaffold has been achieved through the incorporation of fluorinated substituent into 2-substituted morpholino ketones. Their binding affinities have been measured on different monoamine transporters. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2011.02.018
• 作为产物：
  描述：

  1-(4-benzylmorpholin-2-yl)-2-(2-methoxyphenyl)-ethanone 在 cesium fluoride 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 73.0h， 生成 benzyl 2-(1-(2-methoxyphenyl)methyl-2,2,2-trifluoro-1-hydroxyethyl)morpholine-4-carboxylate
  参考文献：
  名称：

  Synthesis and evaluation of fluorinated analogues of monoamine reuptake inhibitors

  摘要：

  The synthesis of two series of fluorinated analogues of monoamines reuptake inhibitors based on tertiary alcohols 2-substituted morpholines scaffold has been achieved through the incorporation of fluorinated substituent into 2-substituted morpholino ketones. Their binding affinities have been measured on different monoamine transporters. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2011.02.018