Article ID Journal Published Year Pages File Type
1402583 Journal of Molecular Structure 2014 6 Pages PDF
Abstract

•We report new synthetic methodologies of triazine derivatives.•Structure of 1-(2-chlorobenzyl)-5-(2-chlorophenyl)-N-[(1E)-(2-chlorophenyl)methylene]-1,2,4-triazolidin-3-amine.•2,4-Diamino-3,6-dihydro-6-(2-chlorophenyl)-1,3,5-triazine was synthesized.•Multinuclear NMR, X-ray and DFT characterization.•High yield from low cost starting materials.

New triazine derivatives 2,4-diamino-3,6-dihydro-6-(2-chlorophenyl)-1,3,5-triazine (1) and 1-(2-chlorobenzyl)-5-(2-chlorophenyl)-N-[(1E)-(2-chlorophenyl)methylene]-1,2,4-triazolidin-3-amine (2) were synthesized by a one-pot synthesis using 2-chlorobenzaldehyde, guanidine and aminoguanidine, respectively. The FTIR, multinuclear NMR, and single crystal X-ray characteristics of these compounds have been determined experimentally and rationalized on the basis of DFT calculation method.

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Physical Sciences and Engineering Chemistry Organic Chemistry
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