ethyl 5-benzyl-1,3,6,8-tetramethyl-7,9-dioxo-t-2,t-3,r-3a,4,5,6,7,8,9,c-9b-decahydro-1H-pyrrolo<2',3':4,5>pyrido<2,3-d>pyrimidine-2-carboxylate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: ethyl 5-benzyl-1,3,6,8-tetramethyl-7,9-dioxo-t-2,t-3,r-3a,4,5,6,7,8,9,c-9b-decahydro-1H-pyrrolo<2',3':4,5>pyrido<2,3-d>pyrimidine-2-carboxylate
• 英文别名: ethyl 5-benzyl-1,3,6,8-tetramethyl-7,9-dioxo-t-2,t-3,r-3a,4,5,6,7,8,9,c-9b-decahydro-1H-pyrrolo[2',3':4,5]pyrido[2,3-d]pyrimidine-2-carboxylate；ethyl (2R,4R,5S,6R)-8-benzyl-3,5,10,12-tetramethyl-11,13-dioxo-3,8,10,12-tetrazatricyclo[7.4.0.02,6]tridec-1(9)-ene-4-carboxylate
• 化学式: C₂₃H₃₀N₄O₄
• 分子量: 426.516
• InChiKey: AEZPVFFFAQCQPV-IAAVTCLWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  73.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  肌氨酸乙酯盐酸盐 、 6-amino>-5-formyl-1,3-dimethylpyrimidine-2,4(1H,3H)-dione 在 N,N-二异丙基乙胺 作用下， 以 甲苯 为溶剂， 反应 30.0h， 以54%的产率得到ethyl 5-benzyl-1,3,6,8-tetramethyl-7,9-dioxo-t-2,t-3,r-3a,4,5,6,7,8,9,c-9b-decahydro-1H-pyrrolo<2',3':4,5>pyrido<2,3-d>pyrimidine-2-carboxylate
  参考文献：
  名称：

  Studies on fused pyrimidine derivatives. Part 12. Reaction of 6-(alk-2-enylamino)-5-formyl-1,3-dimethylpyrimidine-2,4(1H,3H)-diones with α-amino acid derivatives

  摘要：

  The reactions of 6-(alk-2-enylamino)-5-formyl-1,3-dimethylpyrimidine-2.4(1 H,3H)-diones 1 with alpha-amino acid derivatives are described. The reaction of compounds of 1 with N-substituted amino acid derivatives affords azomethine ylides through well known condensation processes. A similar reaction with N-unsubstituted amino acid derivatives gives pyrimido [4,5-b]azepine derivatives via an intramolecular ene reaction of the imines. obtained from diones 1 and N-unsubstituted amino acid derivatives. The reaction profiles depend upon the N-substituent patterns of the amino acid derivatives utilised.

  DOI：

  10.1039/p19940000557

文献信息

• Studies on fused pyrimidine derivatives. Part 12. Reaction of 6-(alk-2-enylamino)-5-formyl-1,3-dimethylpyrimidine-2,4(1H,3H)-diones with α-amino acid derivatives
  作者：Tomonori Inazumi、Kazuo Yamada、Yoshiaki Kuroki、Akikazu Kakehi、Michihiko Noguchi

  DOI：10.1039/p19940000557

  日期：——

  The reactions of 6-(alk-2-enylamino)-5-formyl-1,3-dimethylpyrimidine-2.4(1 H,3H)-diones 1 with alpha-amino acid derivatives are described. The reaction of compounds of 1 with N-substituted amino acid derivatives affords azomethine ylides through well known condensation processes. A similar reaction with N-unsubstituted amino acid derivatives gives pyrimido [4,5-b]azepine derivatives via an intramolecular ene reaction of the imines. obtained from diones 1 and N-unsubstituted amino acid derivatives. The reaction profiles depend upon the N-substituent patterns of the amino acid derivatives utilised.