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@article{362912, author = {Mohamed, Walid Fathalla and Čajan, Michal and Pazdera, Pavel}, article_location = {Basel}, article_number = {5}, keywords = {Cyclic thioamides; regioselective reactions; 4-methyl-1-thioxo-1;2;4;5-tetrahydro[1;2;4]triazolo[4;3-a]quinazolin-5-one; DFT computational studies.}, language = {eng}, issn = {1420-3049}, journal = {Molecules}, title = {Regioselectivity of Electrophilic Attack on 4-Methyl-1-thioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazolin-5-one.}, volume = {6}, year = {2001} }
TY - JOUR ID - 362912 AU - Mohamed, Walid Fathalla - Čajan, Michal - Pazdera, Pavel PY - 2001 TI - Regioselectivity of Electrophilic Attack on 4-Methyl-1-thioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazolin-5-one. JF - Molecules VL - 6 IS - 5 SP - 557 EP - 557 PB - MDPI SN - 14203049 KW - Cyclic thioamides KW - regioselective reactions KW - 4-methyl-1-thioxo-1;2;4;5-tetrahydro[1;2;4]triazolo[4;3-a]quinazolin-5-one KW - DFT computational studies. N2 - The regioselectivity of the model compound 4-methyl-1-thioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazolin-5-one (3) towards different electrophiles was studied. Compound 3 reacts with alkyl and aryl halides to give the corresponding S-substituted derivatives. The reaction of the model thioamide with acyl halides proceeds by the formation of kinetically controlled S-acyl derivatives followed by a transacylation reaction to give the N2-acyl derivatives as thermodynamically controlled products. Theoretical DFT computational studies supported the explanation of these results. The synthesized compounds were characterized by FTIR, 1H-NMR, 13C-NMR, and mass spectroscopy. ER -
MOHAMED, Walid Fathalla, Michal ČAJAN a Pavel PAZDERA. Regioselectivity of Electrophilic Attack on 4-Methyl-1-thioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazolin-5-one. \textit{Molecules}. Basel: MDPI, 2001, roč.~6, č.~5, s.~557-573. ISSN~1420-3049.
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