L. V. Klyba, E. R. Sanzheeva, I. A. Dorofeev, V. A. Shagun, G. A. Fedorova
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引用次数: 0
Abstract
The mechanism of the alkylation of 2-methylimidazole with 1,1,3,3-tetraiodopropan-2-one in the absence and presence of HI acceptor (CaCO3) by matrix-assisted laser desorption/ionization mass spectrometry was studied for the first time. The composition of the reaction mixtures and possible routes of the formation of functionalized 2-methylimidazole derivatives were determined. The N1 and N1,3-alkylation of 2-methylimidazole with reduced (1-iodopropan-2-one, 1,3-diiodopropan-2-one) or dehydroiodinated (2,3-diiodo-2-cycloprop-1-ene) gives rise to forms 1,1, 3,3-tetraiodopropan-2-one is a key step in the synthesis. The thermodynamic and kinetic characteristics of the reduction and dehydroiodination of 1,1,3,3-tetraiodoacetone were evaluated by B3LYP/6-311+G(d,p)+dgdzvp) quantum-chemical calculations.
期刊介绍：
Russian Journal of Organic Chemistry is an international peer reviewed journal that covers all aspects of modern organic chemistry including organic synthesis, theoretical organic chemistry, structure and mechanism, and the application of organometallic compounds in organic synthesis.
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