Theoretical studies on tautomerism and IR spectra of C-5 substituted imidazoles was written by Kurzepa, M.;Dobrowolski, J. Cz.;Mazurek, A. P.. And the article was included in Journal of Molecular Structure in 2001.Synthetic Route of C4H5N3O This article mentions the following:
Total energy, Gibbs free energy, the highest π and σ electronic states, and IR spectra were calculated for twelve C-5 substituted imidazoles at the MP2/6-311++G** level. The COOH and BH2 groups stabilize strongly the N1-H tautomer, the F and OH groups stabilize strongly the N3-H tautomer, whereas the NH2 and NO2 groups favors the N3-H tautomer with a similar, medium strength. The calculated IR spectra of the imidazoles studied reveal differences between the two tautomers, but they do not follow the order of derivatives emerging from the energetics. In the experiment, the researchers used many compounds, for example, 1H-Imidazole-4-carboxamide (cas: 26832-08-6Synthetic Route of C4H5N3O).
1H-Imidazole-4-carboxamide (cas: 26832-08-6) belongs to imidazole derivatives. Among the different heterocyclic compounds, imidazole is better known due to its broad range of chemical and biological properties. Imidazole has become an important synthon in the development of new drugs. The pharmacophore of imidazole exists in bioactive compounds including amino acids, plant growth regulators and therapeutic agents.n increase of the alkyl chain length of the alcohols. Synthetic Route of C4H5N3O
Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem