TY - JOUR ID - 165797 TI - Experimental and computational insights for identification of dialkyl 5-oxo-5H-[1,3] thiazolo[3,2-a]pyrimidine-2,3-dicarboxylates JO - Chemical Review and Letters JA - CRL LA - en SN - 2676-7279 AU - Shajari, Nahid AU - Ghiasi, Reza AU - Ramazani, Ali AD - Department of Chemistry, Zanjan Branch, Islamic Azad University, P.O. Box 49195-467, Zanjan, Iran AD - Department of Chemistry, Faculty of science, East Tehran branch, Islamic Azad university, Qiam Dasht, Tehran, Iran AD - Department of Chemistry, University of Zanjan, P.O. Box 45195-313, Zanjan, Iran Y1 - 2022 PY - 2022 VL - 6 IS - 1 SP - 24 EP - 28 KW - Two-component reaction KW - 2-Thiouracil KW - Dialkyl acetylenedicarboxylate KW - DFT calculation DO - 10.22034/crl.2023.371365.1192 N2 - The two-component reaction of 2-thiouracil and dialkyl acetylenedicarboxylate in solvent-free conditions occurred under thermal conditions and dialkyl 5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxylate derivatives produced were formed. The reaction proceeded smoothly and cleanly under mild reaction conditions. The structures of the products were confirmed by IR, 1H NMR, 13C NMR, and elemental analysis. We also used ethyl phenylacetylenecarboxylate and methyl acetylenecarboxylate in this reaction, but no reaction happened. Stability, dipole moment, and global reactivity parameters of the dimethyl 5-oxo-5H-[1,3]thiazolo[3, 2-a]pyrimidine-2,3-dicarboxylate molecule were calculated at the CAM-B3LYP/6-311G(d,p) level of theory. UR - https://www.chemrevlett.com/article_165797.html L1 - https://www.chemrevlett.com/article_165797_f699f6ef65163df7013b77d3aee4ce31.pdf ER -