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Information × Registration Number 0220U100873, 0118U004009 , R & D reports Title Synthesis of new potentially active compounds based on urea and thiourea derivatives, prediction of their bioactivity. popup.stage_title Head Avdeenko Anatoly P., Кандидат хімічних наук Registration Date 29-01-2020 Organization Donbass State Engineering Academy popup.description2 Object of research: N-substituted-N'-acylthioureas and products of their interaction with dinucleophiles. Objective of research: synthesis of derivatives of thiourea, study of their reactions with dinucleophiles; obtaining of new heterocyclic compounds based on the thiourea derivatives and determine of their possible biological activity using the PASS program. Research methods: physical and chemical methods for the investigation of compounds: IR, NMR 1H, NMR 13C spectroscopy, elemental analysis. Theoretical and practical results: It was found the reaction of the obtained derivatives of 3-amino-1,2,4-triazoles with acetic anhydride proceeds without catalysts with the formation of 2 acetyl-3-arylamino-5-phenyl-1,2,4-triazoles and 2 acetyl-3-(pyridyl-2-yl)amino-5-phenyl-1,2,4-triazoles as major products. Acetylation of 1,5-disubstituted-3-amino-1,2,4-triazoles with acetic anhydride occurs on the exocyclic nitrogen atom. Acetyltriazoles obtained in these reactions are fairly stable compounds; they are stable at short-term heating in water, aprotic organic solvents, and they are stable when stored under normal conditions. The structure of the synthesized compounds was studied on the basis of a combination of various modern physicochemical methods. The structural features of the obtained compounds allow to enter into multiple non-covalent interactions with biopolymers by hydrogen bonds, π ... π-stacking, etc. Thus these new compounds are good objects for the search for new bioactive compounds. Efficiency of introduction: 2-acetyl-3-arylamino-5-phenyl-1,2,4-triazoles and 2-acetyl-3-(pyridyl-2-yl) amino-5-phenyl-1,2,4-triazoles are potential biologically active compounds and can be used as drugs, pesticides. Application area: in the general and special courses of organic chemistry in universities. The products obtained in this work can be tested as new drugs. Product Description popup.authors Avdeenko Anatoly P. Konovalova Svitlana O. popup.nrat_date 2020-04-02 Close