3,7-dimethyl-pyrido[1,2-a]pyrimidine-2,4-dione | 133530-07-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶并嘧啶类
• 英文名称: 3,7-dimethyl-pyrido[1,2-a]pyrimidine-2,4-dione
• 英文别名: 3,7-Dimethylpyrido[1,2-a]pyrimidine-2,4-dione
• CAS: 133530-07-1
• 化学式: C₁₀H₁₀N₂O₂
• 分子量: 190.202
• InChiKey: BNWUNRIGYYRUPL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  49.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3,7-dimethyl-pyrido[1,2-a]pyrimidine-2,4-dione 、 4-(4-chlorobenzoyl)benzyl bromide 在 potassium carbonate 作用下， 以 DMF (10.0 ml)-DMSO 为溶剂， 生成 2-[4-(4-Chlorobenzoyl)benzyloxy]-3,7-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one
  参考文献：
  名称：

  Heterocyclic compounds, their production and use

  摘要：

  一种新的化合物，其化学式为：A--Z--Ar.sup.1 1'CO--Ar.sup.2，其中A是一个紧凑的嘧啶酮或紧凑的吡啶并酮环；Ar.sup.1和Ar.sup.2分别是一个环；Z是一个二价基团，或其盐，具有出色的抗肿瘤活性。

  公开号：

  US05753664A1
• 作为产物：
  描述：

  2-氨基-5-甲基吡啶 、 甲基丙二酸二乙酯 以 乙醇 为溶剂， 以94%的产率得到3,7-dimethyl-pyrido[1,2-a]pyrimidine-2,4-dione
  参考文献：
  名称：

  Electro-organic reactions part 35. Efficient carbon—oxygen bond formation in the anodic coupling of pyridopyrimidine derivatives.

  摘要：

  4-H-Pyrido[1,2-a]pyrimidine-2,4-diones (Chichibabin) derivatives, formed by condensation of 2-aminopyridines with substituted dialkylmalonates, are electroactive. In solution in CH2Cl2/CF3CO2H mixtures they are smoothly and selectively anodically coupled in high yield. The products are novel and unexpected; radical coupling at the C-3 and O-4 positions is involved and the proposed mechanism is analogous to that of oxidative phenolic coupling.

  DOI：

  10.1016/s0040-4020(01)87057-5

文献信息

• US5753664A
  申请人：——

  公开号：US5753664A

  公开（公告）日：1998-05-19
• Electro-organic reactions part 35. Efficient carbon—oxygen bond formation in the anodic coupling of pyridopyrimidine derivatives.
  作者：Mustafa Gullu、Liaquat A. Razack、James H.P. Utley、Ronald J. King、G.Ray White

  DOI：10.1016/s0040-4020(01)87057-5

  日期：1991.1

  4-H-Pyrido[1,2-a]pyrimidine-2,4-diones (Chichibabin) derivatives, formed by condensation of 2-aminopyridines with substituted dialkylmalonates, are electroactive. In solution in CH2Cl2/CF3CO2H mixtures they are smoothly and selectively anodically coupled in high yield. The products are novel and unexpected; radical coupling at the C-3 and O-4 positions is involved and the proposed mechanism is analogous to that of oxidative phenolic coupling.
• Heterocyclic compounds, their production and use
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US05753664A1

  公开（公告）日：1998-05-19

  A novel compound of the formula: A--Z--Ar.sup.1 1'CO--Ar.sup.2 wherein A is a condensed pyrimidinone or condensed pyridazinone ring; Ar.sup.1 and Ar.sup.2 are independently a ring; Z is a divalent group, or a salt thereof which have an excellent antitumor activity.

  一种新的化合物，其化学式为：A--Z--Ar.sup.1 1'CO--Ar.sup.2，其中A是一个紧凑的嘧啶酮或紧凑的吡啶并酮环；Ar.sup.1和Ar.sup.2分别是一个环；Z是一个二价基团，或其盐，具有出色的抗肿瘤活性。