1-dimethylamino-3-ethoxy-1,4,4a,5,8,8a-hexahydroquinoline-5,8-dione | 941306-59-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-dimethylamino-3-ethoxy-1,4,4a,5,8,8a-hexahydroquinoline-5,8-dione
• 英文别名: 1-Dimethylamino-3-ethoxy-1,4,4a,5,8,8a-hexahydro-quinoline-5,8-dione；1-(dimethylamino)-3-ethoxy-4a,8a-dihydro-4H-quinoline-5,8-dione
• CAS: 941306-59-8
• 化学式: C₁₃H₁₈N₂O₃
• 分子量: 250.298
• InChiKey: BEAVEMSPGYZXCH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  49.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-dimethylamino-3-ethoxy-1,4,4a,5,8,8a-hexahydroquinoline-5,8-dione 反应 4.0h， 生成 1-dimethylamino-3-ethoxy-1,4,5,8-tetrahydroquinoline-5,8-dione
  参考文献：
  名称：

  Synthesis of 2-ethoxyprop-2-enal dimethylhydrazone and its Diels-Alder reactions

  摘要：

  Conditions were found for the preparation of 2-ethoxyprop-2-enal dimethylhydrazone by reaction of 2-ethoxypropenal with N,N-dimethylhydrazine. 2-Ethoxyprop-2-enal dimethylhydrazone reacted with methyl vinyl ketone and methyl acrylate according to the [4+2]-cycloaddition pattern with regioselective formation of substituted tetrahydropyridines. The major product in the reaction of 2-ethoxyprop-2-enal dimethylhydrazone with 1,4-benzoquinone was 5-hydroxy-1-benzofuran-2-carbaldehyde dimethylhydrazone formed as a result of [3+2]-cycloaddition; a small amount of the corresponding [4+2]-cycloaddition product was also obtained. Some spontaneous transformations of the primary cycloaddition products were revealed.

  DOI：

  10.1134/s1070428006100010
• 作为产物：
  描述：

  2-乙氧基丙-2-烯醛 在 对苯二酚 作用下， 以 乙醚 、 氯仿 为溶剂， 反应 5.25h， 生成 1-dimethylamino-3-ethoxy-1,4,4a,5,8,8a-hexahydroquinoline-5,8-dione
  参考文献：
  名称：

  Synthesis of 2-ethoxyprop-2-enal dimethylhydrazone and its Diels-Alder reactions

  摘要：

  Conditions were found for the preparation of 2-ethoxyprop-2-enal dimethylhydrazone by reaction of 2-ethoxypropenal with N,N-dimethylhydrazine. 2-Ethoxyprop-2-enal dimethylhydrazone reacted with methyl vinyl ketone and methyl acrylate according to the [4+2]-cycloaddition pattern with regioselective formation of substituted tetrahydropyridines. The major product in the reaction of 2-ethoxyprop-2-enal dimethylhydrazone with 1,4-benzoquinone was 5-hydroxy-1-benzofuran-2-carbaldehyde dimethylhydrazone formed as a result of [3+2]-cycloaddition; a small amount of the corresponding [4+2]-cycloaddition product was also obtained. Some spontaneous transformations of the primary cycloaddition products were revealed.

  DOI：

  10.1134/s1070428006100010