2-amino-8-isopropyl-5-methyl-6,7-dihydro-5H-chromene-3,4-dicarbonitrile

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡喃
• 英文名称: 2-amino-8-isopropyl-5-methyl-6,7-dihydro-5H-chromene-3,4-dicarbonitrile
• 英文别名: 2-amino-5-methyl-8-propan-2-yl-6,7-dihydro-5H-chromene-3,4-dicarbonitrile
• 化学式: C₁₅H₁₇N₃O
• 分子量: 255.319
• InChiKey: DUIHAWBNAVFAEK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  82.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  6-isopropyl-3-methyl-2-(1,1,2,2-tetracyanoethyl)cyclohexanone 反应 72.0h， 以99%的产率得到2-amino-8-isopropyl-5-methyl-6,7-dihydro-5H-chromene-3,4-dicarbonitrile
  参考文献：
  名称：

  四氟乙烯与2-取代的环己酮的反应

  摘要：

  Reactions of 2-methylcyclohexanone and menthone with tetracyanoethylene gave 2-(1,1,2,2-tetracyanoethyl)cyclohexanones which underwent quantitative transformation in the solid phase into 3,4-cyano-substituted 2-aminopyrans in 2 3 days at room temperature. 2-Methyl-2-(1,1,2,2-tetracyanoethyl)cyclohexanone reacted with hydroiodic acid to-afford 8a-hydroxy-2-iodo-4a-methyl-1,4,4a,5,6,7,8,8a-octahydroquinoline-3,4,4-tricarbonitrile. The reaction of 2,T-methylenedi(cyclohexanone) with tetracyanoethylene resulted in formation of 7-imino-4,5-tetramethylene-2 -oxo-6-oxabicyclo[3.2.1]octane-2-spiro-1'-cyclohexane-1,8,8-tricarbonitrile.

  DOI：

  10.1023/a:1020801612443

文献信息

• ——
  作者：V. P. Sheverdov、O. V. Ershov、O. E. Nasakin、A. N. Chernushkin、V. A. Tafeenko

  DOI：10.1023/a:1020801612443

  日期：——

  Reactions of 2-methylcyclohexanone and menthone with tetracyanoethylene gave 2-(1,1,2,2-tetracyanoethyl)cyclohexanones which underwent quantitative transformation in the solid phase into 3,4-cyano-substituted 2-aminopyrans in 2 3 days at room temperature. 2-Methyl-2-(1,1,2,2-tetracyanoethyl)cyclohexanone reacted with hydroiodic acid to-afford 8a-hydroxy-2-iodo-4a-methyl-1,4,4a,5,6,7,8,8a-octahydroquinoline-3,4,4-tricarbonitrile. The reaction of 2,T-methylenedi(cyclohexanone) with tetracyanoethylene resulted in formation of 7-imino-4,5-tetramethylene-2 -oxo-6-oxabicyclo[3.2.1]octane-2-spiro-1'-cyclohexane-1,8,8-tricarbonitrile.