1,3-dimethyl-2,4,7-trioxo-1,2,3,4,7,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxylic acid | 57842-79-2

• 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: 1,3-dimethyl-2,4,7-trioxo-1,2,3,4,7,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxylic acid
• 英文别名: 1,3-dimethyl-2,4,7-trioxo-8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid
• CAS: 57842-79-2
• 化学式: C₁₀H₉N₃O₅
• mdl: MFCD28384438
• 分子量: 251.199
• InChiKey: BMBUFEAMGHKODN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  107
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  丙二酸环(亚)异丙酯 、 6-氨基-1,3-二甲基-2,4-二氧代-1,2,3,4-四氢嘧啶-5-甲醛 在 哌啶 作用下， 以 甲醇 、 氯仿 为溶剂， 反应 18.0h， 以61%的产率得到1,3-dimethyl-2,4,7-trioxo-1,2,3,4,7,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxylic acid
  参考文献：
  名称：

  Synthesis of Novel Classes of Pyrido[2,3‐d]‐pyrimidines, Pyrano[2,3‐d]pyrimidines, and Pteridines

  摘要：

  6-Amino-5-formyluracils 1 and 5-formyl-6-hydroxyuracils 4 react with Meldrum's acid 2 in the presence of piperidine as catalyst under thermolytic conditions to afford 6-carboxy-2,4,7-trioxopyrido[2,3-d] pyrimidines 3 and 6-carboxy-2,4,7-trioxopyrano[ 2,3-d] pyrimidines 5 in good yield. Under identical conditions, 6-amino-5- nitrosouracils 6 react with 2 to afford pteridine-6-carboxylic acids 7 in good yields.

  DOI：

  10.1080/00397910600775622

文献信息

• Synthesis of Novel Classes of Pyrido[2,3‐<i>d</i>]‐pyrimidines, Pyrano[2,3‐<i>d</i>]pyrimidines, and Pteridines
  作者：Mohit Lal Deb、Pulak J. Bhuyan

  DOI：10.1080/00397910600775622

  日期：2006.10

  6-Amino-5-formyluracils 1 and 5-formyl-6-hydroxyuracils 4 react with Meldrum's acid 2 in the presence of piperidine as catalyst under thermolytic conditions to afford 6-carboxy-2,4,7-trioxopyrido[2,3-d] pyrimidines 3 and 6-carboxy-2,4,7-trioxopyrano[ 2,3-d] pyrimidines 5 in good yield. Under identical conditions, 6-amino-5- nitrosouracils 6 react with 2 to afford pteridine-6-carboxylic acids 7 in good yields.