2-{[1-Benzyl-2-(3,4-dimethoxy-phenyl)-ethyl]-methyl-amino}-1-phenyl-ethanol | 321394-56-3

• 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: 2-{[1-Benzyl-2-(3,4-dimethoxy-phenyl)-ethyl]-methyl-amino}-1-phenyl-ethanol
• CAS: 321394-56-3
• 化学式: C₂₆H₃₁NO₃
• 分子量: 405.537
• InChiKey: CVLQKZXWNAPPOF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.52
• 重原子数：
  30.0
• 可旋转键数：
  10.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  41.93
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2-{[1-Benzyl-2-(3,4-dimethoxy-phenyl)-ethyl]-methyl-amino}-1-phenyl-ethanol 在 甲烷磺酸 作用下， 生成 、
  参考文献：
  名称：

  Two General Routes to 1,4-Disubstituted-2,3,4,5-tetrahydro- 1H-3-benzazepines

  摘要：

  [GRAPHICS]Two general routes to 1,4disubstituted-2,3,4,5-tetrahydro-1H-3-benzazepines are described. Both routes utilize an appropriately functionalized phenethylamino alcohol as the penultimate intermediate: the first route makes use of the reductive amination of a benzyl alkyl ketone with alpha-(aminomethyl)benzyl alcohol, while the second route utilizes the addition of a Grignard reagent to the oxazolidine derived from a substitued phenylacetaldehyde and alpha-(methylaminomethyl)benzyl alcohol, In all cases studied, the cis-1,4-disubstituted-2,3,4,5-tetrahydro-1H-3-benzazepine was obtained as the major product.

  DOI：

  10.1021/ol0067641
• 作为产物：
  描述：

  2-(3,4-二甲氧基苯基)-N-甲氧基-N-甲基乙酰胺 在 二异丁基氢化铝 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 生成 2-{[1-Benzyl-2-(3,4-dimethoxy-phenyl)-ethyl]-methyl-amino}-1-phenyl-ethanol
  参考文献：
  名称：

  Two General Routes to 1,4-Disubstituted-2,3,4,5-tetrahydro- 1H-3-benzazepines

  摘要：

  [GRAPHICS]Two general routes to 1,4disubstituted-2,3,4,5-tetrahydro-1H-3-benzazepines are described. Both routes utilize an appropriately functionalized phenethylamino alcohol as the penultimate intermediate: the first route makes use of the reductive amination of a benzyl alkyl ketone with alpha-(aminomethyl)benzyl alcohol, while the second route utilizes the addition of a Grignard reagent to the oxazolidine derived from a substitued phenylacetaldehyde and alpha-(methylaminomethyl)benzyl alcohol, In all cases studied, the cis-1,4-disubstituted-2,3,4,5-tetrahydro-1H-3-benzazepine was obtained as the major product.

  DOI：

  10.1021/ol0067641