6-amino-8-(3,4-dimethylphenyl)-2-methyl-1,2,3,4-tetrahydroisoquinoline-5,7-dicarbonitrile | 1208985-03-8

• 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: 6-amino-8-(3,4-dimethylphenyl)-2-methyl-1,2,3,4-tetrahydroisoquinoline-5,7-dicarbonitrile
• 英文别名: 6-amino-8-(3,4-dimethylphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline-5,7-dicarbonitrile
• CAS: 1208985-03-8
• 化学式: C₂₀H₂₀N₄
• 分子量: 316.406
• InChiKey: QOEWMDNTHFKFQC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  24
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  76.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  N-甲基-4-哌啶酮 、 3,4-二甲基苯甲醛 、 丙二腈 在 sodium hydroxide 作用下， 反应 0.42h， 以85%的产率得到6-amino-8-(3,4-dimethylphenyl)-2-methyl-1,2,3,4-tetrahydroisoquinoline-5,7-dicarbonitrile
  参考文献：
  名称：

  Efficient Synthesis of 6-Amino-8-aryl-2-methyl-1,2,3,4-tetrahydroisoquinoline-5,7-dicarbonitrile Under Solvent-Free Conditions

  摘要：

  A series of 6-amino-8-aryl-2-methyl-1,2,3,4-tetrahydroisoquinoline-5,7-dicarbonitriles were prepared in good yields under solvent-free conditions by multicomponent reactions of aromatic aldehyde, malononitrile, and 1-methylpiperidin-4-one in the presence of sodium hydroxide (NaOH). The structures of the products were characterized by infrared, 1H NMR spectra, elemental analysis, and high-resolution mass spectrometery (HRMS).

  DOI：

  10.1080/00397910902965970

文献信息

• Efficient Synthesis of 6-Amino-8-aryl-2-methyl-1,2,3,4-tetrahydroisoquinoline-5,7-dicarbonitrile Under Solvent-Free Conditions
  作者：Liangce Rong、Lijiu Gao、Hongxia Han、Hong Jiang、Yisi Dai、Shujiang Tu

  DOI：10.1080/00397910902965970

  日期：2009.12.30

  A series of 6-amino-8-aryl-2-methyl-1,2,3,4-tetrahydroisoquinoline-5,7-dicarbonitriles were prepared in good yields under solvent-free conditions by multicomponent reactions of aromatic aldehyde, malononitrile, and 1-methylpiperidin-4-one in the presence of sodium hydroxide (NaOH). The structures of the products were characterized by infrared, 1H NMR spectra, elemental analysis, and high-resolution mass spectrometery (HRMS).