1,4-diethyl 3-(2-(3-chlorophenyl)hydrazono)- 2-(3,4-dihydro-6,7-dimethoxy-2H-isoquinoline-1-ylidene)succinate | 1161946-76-4

• 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 3-(2-(3-chlorophenyl)hydrazono)- 2-(3,4-dihydro-6,7-dimethoxy-2H-isoquinoline-1-ylidene)succinate
• 英文别名: 1,4-diethyl 3-(2-(3-chlorophenyl)hydrazono)-2-(3,4-dihydro-6,7-dimethoxy-2H-isoquinoline-1-ylidene)succinate
• CAS: 1161946-76-4
• 化学式: C₂₅H₂₈ClN₃O₆
• 分子量: 501.967
• InChiKey: KERUHNPQUYNXTK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.81
• 重原子数：
  35.0
• 可旋转键数：
  9.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  107.48
• 氢给体数：
  2.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  1,4-diethyl 3-(2-(3-chlorophenyl)hydrazono)- 2-(3,4-dihydro-6,7-dimethoxy-2H-isoquinoline-1-ylidene)succinate 以 溶剂黄146 为溶剂， 生成 ethyl 2-(2-(3-chlorophenyl)hydrazono)-2,3,5,6-tetrahydro-8,9-dimethoxy-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：

  [(3-氯苯基)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72%的产率得到1,4-diethyl 3-(2-(3-chlorophenyl)hydrazono)- 2-(3,4-dihydro-6,7-dimethoxy-2H-isoquinoline-1-ylidene)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