Synthesis, crystal structures and spectral characterization of chiral 4-R-1,2,4-triazoles

•Four chiral 4-substituted 1,2,4-triazoles have been synthesized.•Their structures have been found from single crystal X-ray diffraction.•Their NMR, IR and mass spectra have been acquired.•CD reveals chirooptical properties of these molecules.

1,2,4-triazoles attract attention as actively used medications and ligands for constructing coordination architectures. In this paper we describe four optically active 4-substituted 1,2,4-triazoles that have been prepared by Bayer's synthesis from the corresponding aliphatic chiral amines. This approach tends to be universal towards different triazoles and permits to conserve a homochirality of substrates. Novel asymmetric molecules have been characterized by spectroscopic techniques and their structures have been retrieved from the single crystal X-ray analysis. Chiro-optical studies of these heterocycles have been made by means of circular dichroism spectroscopy.

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