1-[2-(3,4-dihydroxyphenyl)-2-oxo-ethyl]-4-hydroxypyrimidin-1-ium chloride

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-[2-(3,4-dihydroxyphenyl)-2-oxo-ethyl]-4-hydroxypyrimidin-1-ium chloride
• 英文别名: 3-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]-1H-pyrimidin-3-ium-6-one;chloride
• 化学式: C₁₂H₁₁N₂O₄*Cl
• 分子量: 282.683
• InChiKey: ITUROTPWKIXBMY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.04
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  89.6
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3,4-二羟基-2'-氯苯乙酮 、 4(3H)-嘧啶酮 以 甲醇 、 丙酮 为溶剂， 反应 1.0h， 以85%的产率得到1-[2-(3,4-dihydroxyphenyl)-2-oxo-ethyl]-4-hydroxypyrimidin-1-ium chloride
  参考文献：
  名称：

  Diazinium salts with dihydroxyacetophenone skeleton: Syntheses and antimicrobial activity

  摘要：

  Herein we report a feasible study concerning syntheses, structure and antimicrobial activity of some new diazinium salts with dihydroxyacetophenone skeleton. A fast, general, environmentally friendly, and facile method for preparation of diazinium salts under microwave and ultrasounds irradiation is presented. Antimicrobial tests prove that some diazine compounds have a remarkable activity against different microorganisms (germs and fungi), the pyrimidine derivatives being more active. Correlations between structure and antimicrobial activity are reported. (C) 2008 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2008.06.017

文献信息

• Diazinium salts with dihydroxyacetophenone skeleton: Syntheses and antimicrobial activity
  作者：Ana Maria Balan、Ondina Florea、Costel Moldoveanu、Gheorghita Zbancioc、Dorina Iurea、Ionel I. Mangalagiu

  DOI：10.1016/j.ejmech.2008.06.017

  日期：2009.5

  Herein we report a feasible study concerning syntheses, structure and antimicrobial activity of some new diazinium salts with dihydroxyacetophenone skeleton. A fast, general, environmentally friendly, and facile method for preparation of diazinium salts under microwave and ultrasounds irradiation is presented. Antimicrobial tests prove that some diazine compounds have a remarkable activity against different microorganisms (germs and fungi), the pyrimidine derivatives being more active. Correlations between structure and antimicrobial activity are reported. (C) 2008 Elsevier Masson SAS. All rights reserved.