1,3,7-Trimethyl-6-nitro-5-[4-(1,3,7-trimethyl-6-nitro-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)phenyl]pyrido[2,3-d]pyrimidine-2,4-dione | 1574622-86-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 1,3,7-Trimethyl-6-nitro-5-[4-(1,3,7-trimethyl-6-nitro-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)phenyl]pyrido[2,3-d]pyrimidine-2,4-dione
• 英文别名: 1,3,7-trimethyl-6-nitro-5-[4-(1,3,7-trimethyl-6-nitro-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)phenyl]pyrido[2,3-d]pyrimidine-2,4-dione
• CAS: 1574622-86-8
• 化学式: C₂₆H₂₂N₈O₈
• 分子量: 574.509
• InChiKey: QTKBWQOBHNNDHL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  42
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  199
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  1,3,7-Trimethyl-6-nitro-5-[4-(1,3,7-trimethyl-6-nitro-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)phenyl]pyrido[2,3-d]pyrimidine-2,4-dione 在 sodium dithionite 、 sodium hydroxide 作用下， 以 水 、 丙酮 为溶剂， 反应 1.5h， 以42%的产率得到6-Amino-5-[4-(6-amino-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)phenyl]-1,3,7-trimethylpyrido[2,3-d]pyrimidine-2,4-dione
  参考文献：
  名称：

  A convenient synthesis of novel 5-aryl-pyrido[2,3-d]pyrimidines and screening of their preliminary antibacterial properties

  摘要：

  Exploiting the diene nature of 6[1-aza-2-(dimethylamino)prop-l-enyl]-1,3-dimethyluracil (2), novel 5-aryl-pyrido[2,3-d]pyrimidines (5a-h) have been synthesized. The reaction proceeds through a triene intermediate whose structure has been conclusively established by single crystal X-ray analysis. Role of water is intriguing as the reaction can be stopped at the intermediate stage. Synthesized compounds have been screened for possible antibacterial properties and results showed modest activity. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2014.01.128
• 作为产物：
  描述：

  1,3-二甲基-6-氨基脲嘧啶 以 二甲基亚砜 为溶剂， 反应 8.0h， 生成 1,3,7-Trimethyl-6-nitro-5-[4-(1,3,7-trimethyl-6-nitro-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)phenyl]pyrido[2,3-d]pyrimidine-2,4-dione
  参考文献：
  名称：

  A convenient synthesis of novel 5-aryl-pyrido[2,3-d]pyrimidines and screening of their preliminary antibacterial properties

  摘要：

  Exploiting the diene nature of 6[1-aza-2-(dimethylamino)prop-l-enyl]-1,3-dimethyluracil (2), novel 5-aryl-pyrido[2,3-d]pyrimidines (5a-h) have been synthesized. The reaction proceeds through a triene intermediate whose structure has been conclusively established by single crystal X-ray analysis. Role of water is intriguing as the reaction can be stopped at the intermediate stage. Synthesized compounds have been screened for possible antibacterial properties and results showed modest activity. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2014.01.128