5-(4-hydroxybenzylideneamino)pyrimidine-2,4(1H,3H)-dione | 273745-66-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 5-(4-hydroxybenzylideneamino)pyrimidine-2,4(1H,3H)-dione
• 英文别名: 5-[(4-hydroxyphenyl)methylideneamino]-1H-pyrimidine-2,4-dione
• CAS: 273745-66-7
• 化学式: C₁₁H₉N₃O₃
• 分子量: 231.211
• InChiKey: RBEFJNPJUUWNCC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  17
• 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：
  90.8
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  5-氨基尿嘧啶 、 对羟基苯甲醛 以 乙醇 、 水 为溶剂， 反应 2.0h， 以66%的产率得到5-(4-hydroxybenzylideneamino)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

文献信息

• 5-Arylideneaminouracils: I. Synthesis and relations between physicochemical parameters and biological activity
  作者：V. I. Krutikov、A. V. Erkin

  DOI：10.1134/s107036320905020x

  日期：2009.5

  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.
• Aldimines of 5-aminouracil as reagents in 1,3-dipolar cycloaddition reaction
  作者：Dominika Jakubiec、Krzysztof Z. Walczak

  DOI：10.1007/s00706-011-0616-1

  日期：2011.11

  The condensation of 5-aminouracil with aromatic aldehydes gave the appropriate C-arylimines, which were used in [2+3] cycloaddition with nitrile oxides derived from 4-substituted benzaldoximes. As a result of the dipolar cycloaddition reaction several hitherto unknown 5-(3,5-diphenyl-1,2,4-oxadiazol-4(5H)-yl)pyrimidine-2,4(1H,3H)-diones have been obtained in satisfactory yields.