2,4-dioxo-5-(2-hydroxy-3,5-dichlorobenzylidiene)amino-1,3-pyrimidine | 196958-41-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2,4-dioxo-5-(2-hydroxy-3,5-dichlorobenzylidiene)amino-1,3-pyrimidine
• 英文别名: 5-(3,5-dichloro-2-hydroxybenzylideneamino)-pyrimidine-2,4(1H,3H)-dione；5-(2-hydroxy-3,5-dichlorobenzylidene)aminopyrimidine-2,4(1H,3H)-dione；5-{[(E)-(3,5-dichloro-2-hydroxyphenyl)methylidene]amino}pyrimidine-2,4-diol；5-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-1H-pyrimidine-2,4-dione
• CAS: 196958-41-5
• 化学式: C₁₁H₇Cl₂N₃O₃
• 分子量: 300.101
• InChiKey: HMBQGXAQNZFODB-UHFFFAOYSA-N

物化性质

• 密度：
  1.69±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  19
• 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

• 作为反应物：
  描述：

  亚磷酸二丁酯 、 2,4-dioxo-5-(2-hydroxy-3,5-dichlorobenzylidiene)amino-1,3-pyrimidine 以83%的产率得到dibutyl [(3,5-dichloro-2-hydroxyphenyl)[(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)amino]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 、 3,5-二氯水杨醛 在 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 以98%的产率得到2,4-dioxo-5-(2-hydroxy-3,5-dichlorobenzylidiene)amino-1,3-pyrimidine
  参考文献：
  名称：

  Fungicide

  摘要：

  本发明涉及杀菌剂，可用于治疗由真菌引起的疾病，以及预防真菌对各种材料和农产品的损害。该杀菌剂为一种2,4-二氧-5-(2-羟基-3,5-二氯苯基亚甲基)氨基-1,3-嘧啶盐，其通用式为：（A），或其二聚体：（B），其中X选自Na+，K+，Li+和NH4+系列。创造了一种具有广谱抗真菌活性的有效制剂。

  公开号：

  US20130261301A1

文献信息

• Fungicide
  申请人：Tets Viktor Veniaminovich

  公开号：US20130261301A1

  公开（公告）日：2013-10-03

  The invention relates to fungicides and can be used for treating diseases caused by fungi, and also for preventing damage to various materials and agricultural products by fungi. The fungicide is a 2,4-dioxo-5-(2-hydroxy-3,5-dichlorobenzylidiene)amino-1,3-pyrimidine salt of general formula: (A) or a dimer thereof: (B), where X is selected from the series consisting of: Na + , K + , Li + and NH 4 + . An effective preparation having anti-fungal activity with a broad spectrum of action is created.

  本发明涉及杀菌剂，可用于治疗由真菌引起的疾病，以及预防真菌对各种材料和农产品的损害。该杀菌剂为一种2,4-二氧-5-(2-羟基-3,5-二氯苯基亚甲基)氨基-1,3-嘧啶盐，其通用式为：（A），或其二聚体：（B），其中X选自Na+，K+，Li+和NH4+系列。创造了一种具有广谱抗真菌活性的有效制剂。
• 5-Arylideneaminouracyls: IV. Phosphorylated derivatives and their biological activity
  作者：V. I. Krutikov、A. V. Erkin

  DOI：10.1134/s1070363209080106

  日期：2009.8

  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.
• 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.