3-((E)-3-Dimethylamino-allylidene)-1,5-dimethyl-1,5-dihydro-benzo[b][1,4]diazepine-2,4-dione

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• 英文名称: 3-((E)-3-Dimethylamino-allylidene)-1,5-dimethyl-1,5-dihydro-benzo[b][1,4]diazepine-2,4-dione
• 英文别名: (E)-3-(3-(dimethylamino)allylidene)-1,5-dimethyl-1H-benzo[b][1,4]diazepine-2,4(3H,5H)-dione；3-[(E)-3-(dimethylamino)prop-2-enylidene]-1,5-dimethyl-1,5-benzodiazepine-2,4-dione
• 化学式: C₁₆H₁₉N₃O₂
• 分子量: 285.346
• InChiKey: KUWTWDUGOAKFHT-YRNVUSSQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  43.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  N,N'-dimethyl-N,N'-(o-phenylenemalonamide) 、 β-(dimethylamino)acrolein aminal 以 苯 为溶剂， 反应 8.0h， 以35%的产率得到3-((E)-3-Dimethylamino-allylidene)-1,5-dimethyl-1,5-dihydro-benzo[b][1,4]diazepine-2,4-dione
  参考文献：
  名称：

  Interaction of aminals of conjugated ?-dimethylaminoaldehydes with cyclic ?-dicarbonyl compounds

  摘要：

  Reactions of animals of conjugated omega-dimethylaminoaldehydes with Meldrum's acid, N,N'-(o-phenylene)malonamides, and 2,3-dihydrophenalene-1,3-dione afford delta-dimethylaminodienones, substituted 2-dimethylamino-2H-pyrans, or oxanine salts. Cation-anionic polymethine dyes have been obtained from the latter.

  DOI：

  10.1007/bf00695825

文献信息

• Interaction of aminals of conjugated ?-dimethylaminoaldehydes with cyclic ?-dicarbonyl compounds
  作者：Zh. A. Krasnaya、E. V. Grechkina、V. S. Bogdanov

  DOI：10.1007/bf00695825

  日期：1994.2

  Reactions of animals of conjugated omega-dimethylaminoaldehydes with Meldrum's acid, N,N'-(o-phenylene)malonamides, and 2,3-dihydrophenalene-1,3-dione afford delta-dimethylaminodienones, substituted 2-dimethylamino-2H-pyrans, or oxanine salts. Cation-anionic polymethine dyes have been obtained from the latter.