2,7-diamino-4-(1-methylbutyl)-4H-chromene-3-carbonitrile

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 2,7-diamino-4-(1-methylbutyl)-4H-chromene-3-carbonitrile
• 英文别名: 2,7-diamino-4-pentan-2-yl-4H-chromene-3-carbonitrile
• 化学式: C₁₅H₁₉N₃O
• 分子量: 257.335
• InChiKey: TZNWAYGSFFXCRN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  85.1
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-甲基戊醛 在 吗啉 作用下， 以 乙醇 为溶剂， 反应 24.58h， 生成 2,7-diamino-4-(1-methylbutyl)-4H-chromene-3-carbonitrile
  参考文献：
  名称：

  Aliphatic aldehydes in multicomponent syntheses of 4-alkyl-substituted partially hydrogenated quinolines, fused 4H-pyrans, and 2-amino-4-ethyl-5-methylbenzene-1,3-dicarbonitrile

  摘要：

  The Knoevenagel condensation of aliphatic aldehydes with CH acids, malonodinitrile, cyanothioacetamide, cyclohexane-1,3-dione, dimedone, 4-hydroxycoumarin, 3-aminophenol, and N-(cyclohex-1-enyl)morpholine leads to formation of 4-alkyl-substituted partially hydrogenated quinolines, fused 4H-pyrans, and 2-amino-4-ethyl-5-methylbenzene-1,3-dicarbonitrile. The structure of the latter was proved by the X-ray diffraction data.

  DOI：

  10.1134/s1070428006040142

文献信息

• Aliphatic aldehydes in multicomponent syntheses of 4-alkyl-substituted partially hydrogenated quinolines, fused 4H-pyrans, and 2-amino-4-ethyl-5-methylbenzene-1,3-dicarbonitrile
  作者：V. D. Dyachenko、A. N. Chernega

  DOI：10.1134/s1070428006040142

  日期：2006.4

  The Knoevenagel condensation of aliphatic aldehydes with CH acids, malonodinitrile, cyanothioacetamide, cyclohexane-1,3-dione, dimedone, 4-hydroxycoumarin, 3-aminophenol, and N-(cyclohex-1-enyl)morpholine leads to formation of 4-alkyl-substituted partially hydrogenated quinolines, fused 4H-pyrans, and 2-amino-4-ethyl-5-methylbenzene-1,3-dicarbonitrile. The structure of the latter was proved by the X-ray diffraction data.