New Pair of 2-Amino-naphthoxazoles Derived from β-Lapachone: Synthesis, Spectral Evaluation and Crystal Structure

Autor:	Leonardo Davi Silveira Augusto Baptista da Silva, Guilherme P. Guedes, Ari M. da Silva, Emanoel Hottes, Aurélio B. B. Ferreira, Luan M. S. Freire
Jazyk:	angličtina
Rok vydání:	2021
Předmět:	Diffraction Work (thermodynamics) crystal structure Materials science synthesis β lapachone β-lapachone General Chemistry Crystal structure Condensation reaction naphthoxazoles chemistry.chemical_compound Thiourea chemistry Physical chemistry Density functional theory
Zdroj:	Journal of the Brazilian Chemical Society v.32 n.5 2021 Journal of the Brazilian Chemical Society Sociedade Brasileira de Química (SBQ) instacron:SBQ
Popis:	This work describes a novel synthetic route for obtaining 2-amino-naphthoxazoles derived from β-lapachone, which consists of a condensation reaction between β-lapachone and thiourea in a basic medium. This synthetic approach can be seen as a potential route for obtaining 2-amino-oxazoles from quinones. The obtained amino-naphthoxazoles were characterized by spectroscopic techniques and the crystal structure of one of them was resolved by X-ray diffraction. The experimental results were compared to that obtained through density functional theory (DFT) calculations, revealing high correlation coefficients.
Databáze:	OpenAIRE
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