9-(1,3-dimethyluracil-5-yl)-1,2,3,4,5,6,7,8,9,10-decahydro-3,3,6,6-tetramethylacridin-1,8-dione

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 9-(1,3-dimethyluracil-5-yl)-1,2,3,4,5,6,7,8,9,10-decahydro-3,3,6,6-tetramethylacridin-1,8-dione
• 英文别名: 9-(1,3-Dimethyl-2,4-dioxopyrimidin-5-yl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione
• 化学式: C₂₃H₂₉N₃O₄
• 分子量: 411.501
• InChiKey: RCMFZEOYCQJXQS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  30
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  86.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-氨基-5,5-二甲基-2-环己烯-1-酮 、 1,3-二甲基尿嘧啶-5-甲醛 在 三氟乙酸 作用下， 以 乙腈 为溶剂， 反应 6.0h， 以43%的产率得到9-(1,3-dimethyluracil-5-yl)-1,2,3,4,5,6,7,8,9,10-decahydro-3,3,6,6-tetramethylacridin-1,8-dione
  参考文献：
  名称：

  Acid catalysed enamine induced transformations of 1,3-dimethyl-5-formyluracil. A unique annulation reaction with enaminones

  摘要：

  1,3-Dimethyl-5-formyluracil (1) with enaminones, 3-amino-5,5-dimethylcyclohex-2-enone and 3-aminocyclohex-2-enone in CH3CN - TFA (10 : 0.1) gives annulation products pyrimido[4,5-b]quinolin-2,4,6(1H, 3H, 7H)-trione derivatives along with Hantzsch type 1,4-dihydropyridine derivatives. However, 1 with ethyl beta-aminocrotonate and 6-amino-1.3-dimethyluracil, enamine ester and amide respectively, provides subsequent transformation products.

  DOI：

  10.1016/0040-4020(95)00831-r

文献信息

• Acid catalysed enamine induced transformations of 1,3-dimethyl-5-formyluracil. A unique annulation reaction with enaminones
  作者：Harjit Singh Dolly、Swapandeep Singh Chimni、Subodh Kumar

  DOI：10.1016/0040-4020(95)00831-r

  日期：1995.11

  1,3-Dimethyl-5-formyluracil (1) with enaminones, 3-amino-5,5-dimethylcyclohex-2-enone and 3-aminocyclohex-2-enone in CH3CN - TFA (10 : 0.1) gives annulation products pyrimido[4,5-b]quinolin-2,4,6(1H, 3H, 7H)-trione derivatives along with Hantzsch type 1,4-dihydropyridine derivatives. However, 1 with ethyl beta-aminocrotonate and 6-amino-1.3-dimethyluracil, enamine ester and amide respectively, provides subsequent transformation products.