2-R-7-methyl[1,2,4]triazolo[2,3-a]pyrimidines: synthesis and structures View Full Text


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Article Info

DATE

2008-06

AUTHORS

Kh. S. Shikhaliev, D. V. Krylski, A. Yu. Potapov, S. E. Nefedov, O. E. Sidorenko

ABSTRACT

Reactions of 5-R-3-amino-1,2,4-triazoles with ethoxymethylideneacetylacetone and ethyl ethoxymethylideneacetoacetate proceeded regioselectively, giving 2-R-7-methyl[1,2,4]triazolo[2,3-a]-pyrimidines in good yields. The compounds obtained were characterized by elemental analysis, 1H NMR spectroscopy, and X-ray diffraction analysis (for ethyl 2-ethylthio-7-methyl[1,2,4]triazolo[2,3-a]pyrimidine-6-carboxylate). The frontier orbitals, the molecular electrostatic potential, and the geometries of the reagent molecules were calculated by the DFT method (B3LYP/6-31G**). More... »

PAGES

1268

Identifiers

URI

http://scigraph.springernature.com/pub.10.1007/s11172-008-0163-z

DOI

http://dx.doi.org/10.1007/s11172-008-0163-z

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1012765825


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