2-(cyclopropanecarbonyl)-1-isopropyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-1-carbaldehyde | 1268628-02-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: 2-(cyclopropanecarbonyl)-1-isopropyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-1-carbaldehyde
• 英文别名: 2-(Cyclopropanecarbonyl)-6,7-dimethoxy-1-propan-2-yl-3,4-dihydroisoquinoline-1-carbaldehyde；2-(cyclopropanecarbonyl)-6,7-dimethoxy-1-propan-2-yl-3,4-dihydroisoquinoline-1-carbaldehyde
• CAS: 1268628-02-9
• 化学式: C₁₉H₂₅NO₄
• 分子量: 331.412
• InChiKey: PJEBZZOPYMNEON-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  55.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-(7,8-dimethoxy-5-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2,2,2-trifluoroethanone 在 iron(III) chloride hexahydrate 、 水 、 氧气 、 三乙胺 、 potassium hydroxide 作用下， 以 甲醇 、 二氯甲烷 、 硝基苯 为溶剂， 反应 3.5h， 生成 2-(cyclopropanecarbonyl)-1-isopropyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-1-carbaldehyde
  参考文献：
  名称：

  FeCl3·6H2O-promoted skeleton-rearrangement of 1-substituted-3-benzazepines: substrate extension and product utilization

  摘要：

  FeCl3 center dot 6H(2)O-promoted skeleton-rearrangement of 1-substituted-3-benzazepines was further exploited. Both 1-aryl- and 1-alkyl- or 1-alkenyl-benzazepines underwent this reaction smoothly. The rearrangement products were used to prepare a series of novel derivatives containing both tetrahydroisoquinoline (THIQ) and tetrahydropyrimidin-4(1H)-one scaffolds through a Mannich-type process. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.12.038

文献信息

• FeCl3·6H2O-promoted skeleton-rearrangement of 1-substituted-3-benzazepines: substrate extension and product utilization
  作者：Jing Zhang、Kui Wu、Meining Wang、Jianqin Jiang、Ao Zhang

  DOI：10.1016/j.tet.2010.12.038

  日期：2011.2

  FeCl3 center dot 6H(2)O-promoted skeleton-rearrangement of 1-substituted-3-benzazepines was further exploited. Both 1-aryl- and 1-alkyl- or 1-alkenyl-benzazepines underwent this reaction smoothly. The rearrangement products were used to prepare a series of novel derivatives containing both tetrahydroisoquinoline (THIQ) and tetrahydropyrimidin-4(1H)-one scaffolds through a Mannich-type process. (C) 2010 Elsevier Ltd. All rights reserved.