A highly efficient protocol for acid‐mediated peri annulation of perimidines with pyrimidines has been developed. Pyrimidines, used as surrogates for 1,3‐dicarbonyl compounds, furnish benzo[gh]perimidines, which includes hardly available analogues, non‐substituted, or mono‐substituted at C‐6, C‐8. Limitations of reactions that use 5‐bromopyrimidines are investigated.
The reaction of cyanothioacetamide with aromatic aldehydes and 1,3-dicarbonyl compounds followed by aminomethylation or S-alkylation gave a series of heterocyclic derivatives with a 1,2,3,4-tetrahydropyridine or 1,4,5,6,7,8-hexahydroquinoline fragment. The resulting compounds were tested for analgesic activity in vivo. Some of the prepared compounds showed an antinociceptive effect superior to that of ketorolac in dynamics.
The reaction of 2-amino-1,1,3-tricyanopropene (malononitrile dimer) with
isothiocyanates leads to 1-substituted
4,6-diamino-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitriles or
4,6-diamino-2-(phenylimino)-2H-thiopyran-3,5-dicarbonitrile, depending on the conditions.
Quantum-chemical modeling of the IR spectra and reaction routes for the
synthesized compounds was carried out. In
silico predictive analysis of potential protein targets,
compliance with bioavailability criteria, and ADMET parameters was
performed.
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