1,4-diethyl 2-(3,4-dihydro-6,7-dimethoxy-2H-isoquinoline-1-ylidene)-3-(2-(4-methoxyphenyl)hydrazono)succinate | 1161946-75-3

• 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: 1,4-diethyl 2-(3,4-dihydro-6,7-dimethoxy-2H-isoquinoline-1-ylidene)-3-(2-(4-methoxyphenyl)hydrazono)succinate
• CAS: 1161946-75-3
• 化学式: C₂₆H₃₁N₃O₇
• 分子量: 497.548
• InChiKey: VJMPQLNZPAANKY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.16
• 重原子数：
  36.0
• 可旋转键数：
  10.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  116.71
• 氢给体数：
  2.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  1,4-diethyl 2-(3,4-dihydro-6,7-dimethoxy-2H-isoquinoline-1-ylidene)-3-(2-(4-methoxyphenyl)hydrazono)succinate 以 溶剂黄146 为溶剂， 生成 ethyl 2,3,5,6-tetrahydro-8,9-dimethoxy-2-(2-(4-methoxyphenyl)hydrazono)-3-oxopyrrolo[2,1-a]isoquinoline-1-carboxylate
  参考文献：
  名称：

  A Facile Access for Synthesis of Novel Isoquinoline-Based Heterocycles

  摘要：

  Hydrazonoyl halides 2, 7 and 12 react with alkyl 2-(3,4-dihydro-6,7-dimethox-2H-isoquinoline-1-ylidene)carboxylate 1 to give 4-(3,4-dihydro-6,7-dimethoxy-2H-isoquinoline-1-ylidene)-2,5-diaryl-2,4-dihydropyrazol-3-one 6, alkyl 2-arylazo-5,6-dihydro-8,9-dimethoxy-3-alkyl(or aryl)pyrrolo[2,1-a]isoquinoline-l-carboxylate 10 and alkyl 2-(2-arylhydrazono)-2,3,5,6-tetrahydro-8,9dimethoxy-3-oxopyrrolo[2,1-a]isoquinoline-l-carboxylate 15, respectively. The structures of the new compounds were elucidated on the basis of elemental analyses, spectral data and X-ray crystallographic analyses.

  DOI：

  10.3987/com-09-11648
• 作为产物：
  描述：

  [(4-甲氧基苯基)肼基]氯乙酸乙酯 、 1-(ethoxycarbonylmethylene)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline 在 三乙胺 作用下， 以 氯仿 为溶剂， 反应 4.0h， 以73%的产率得到1,4-diethyl 2-(3,4-dihydro-6,7-dimethoxy-2H-isoquinoline-1-ylidene)-3-(2-(4-methoxyphenyl)hydrazono)succinate
  参考文献：
  名称：

  A Facile Access for Synthesis of Novel Isoquinoline-Based Heterocycles

  摘要：

  Hydrazonoyl halides 2, 7 and 12 react with alkyl 2-(3,4-dihydro-6,7-dimethox-2H-isoquinoline-1-ylidene)carboxylate 1 to give 4-(3,4-dihydro-6,7-dimethoxy-2H-isoquinoline-1-ylidene)-2,5-diaryl-2,4-dihydropyrazol-3-one 6, alkyl 2-arylazo-5,6-dihydro-8,9-dimethoxy-3-alkyl(or aryl)pyrrolo[2,1-a]isoquinoline-l-carboxylate 10 and alkyl 2-(2-arylhydrazono)-2,3,5,6-tetrahydro-8,9dimethoxy-3-oxopyrrolo[2,1-a]isoquinoline-l-carboxylate 15, respectively. The structures of the new compounds were elucidated on the basis of elemental analyses, spectral data and X-ray crystallographic analyses.

  DOI：

  10.3987/com-09-11648