5-{[(E)-(2-hydroxy-5-nitrophenyl)methylidene]amino}pyrimidine-2,4(1H,3H)-dione | 273745-88-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 5-{[(E)-(2-hydroxy-5-nitrophenyl)methylidene]amino}pyrimidine-2,4(1H,3H)-dione
• 英文别名: 5-[(2-hydroxy-5-nitrophenyl)methylideneamino]-1H-pyrimidine-2,4-dione
• CAS: 273745-88-3
• 化学式: C₁₁H₈N₄O₅
• 分子量: 276.208
• InChiKey: ZUAHEBJNJCXRDA-UHFFFAOYSA-N

物化性质

• 密度：
  1.68±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  137
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  diisobutyl phosphite 、 5-{[(E)-(2-hydroxy-5-nitrophenyl)methylidene]amino}pyrimidine-2,4(1H,3H)-dione 以85%的产率得到diisobutyl (((2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)amino)(2-hydroxy-5-nitrophenyl)methyl)phosphonate
  参考文献：
  名称：

  5-Arylideneaminouracyls: IV. Phosphorylated derivatives and their biological activity

  摘要：

  It extension of the studies on the search for the new biologically active 5-aminouracyl derivatives, we synthesized by the reaction of dialkylphosphites with arylideneuracils respective aminomethylphosphonates. The high level of the antiviral and anti-mycobacterial activity of the target compounds correlates well with the physicochemical parameters characterizing their structure.

  DOI：

  10.1134/s1070363209080106
• 作为产物：
  描述：

  5-氨基尿嘧啶 、 5-硝基水杨醛 以 乙醇 、 水 为溶剂， 反应 2.0h， 以78%的产率得到5-{[(E)-(2-hydroxy-5-nitrophenyl)methylidene]amino}pyrimidine-2,4(1H,3H)-dione
  参考文献：
  名称：

  5-Arylideneaminouracils: I. Synthesis and relations between physicochemical parameters and biological activity

  摘要：

  A number of 5-arylideneaminouracils were synthesized by condensation of 5-aminouracil with substituted aromatic aldehydes. Correlation analysis according to Hantzsch revealed strong effects of the lipophilicity parameter and hydration energy of these compounds on their biological activity.

  DOI：

  10.1134/s107036320905020x