2-[[1-(3,4-Dimethoxyphenyl)-3-phenylpropan-2-yl]amino]-1-phenylethanol | 321394-44-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: 2-[[1-(3,4-Dimethoxyphenyl)-3-phenylpropan-2-yl]amino]-1-phenylethanol
• 英文别名: 2-[[1-(3,4-dimethoxyphenyl)-3-phenylpropan-2-yl]amino]-1-phenylethanol
• CAS: 321394-44-9
• 化学式: C₂₅H₂₉NO₃
• 分子量: 391.51
• InChiKey: HOSNZVVWZICSLV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  29
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  50.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-[[1-(3,4-Dimethoxyphenyl)-3-phenylpropan-2-yl]amino]-1-phenylethanol 在 甲烷磺酸 作用下， 反应 2.0h， 生成 4-Benzyl-7,8-dimethoxy-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine
  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：

  苄基溴化镁 在 sodium cyanoborohydride 、 溶剂黄146 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 16.0h， 生成 2-[[1-(3,4-Dimethoxyphenyl)-3-phenylpropan-2-yl]amino]-1-phenylethanol
  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

文献信息

• Two General Routes to 1,4-Disubstituted-2,3,4,5-tetrahydro- 1<i>H</i>-3-benzazepines
  作者：Samuel W. Gerritz、Jennifer S. Smith、Suganthini S. Nanthakumar、David E. Uehling、Jeffery E. Cobb

  DOI：10.1021/ol0067641

  日期：2000.12.1

  [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.