Please use this identifier to cite or link to this item: https://doi.org/10.1016/j.crci.2010.10.003
Title: Synthesis and tautomerism study of 6-benzoylmethyl-1,3,5-triazin-2,4- diamine
Authors: Sachdeva, N.
Dolzhenko, A.V. 
Chui, W.K. 
Keywords: DFT calculations
Resonance-assisted hydrogen bonding
Solvent effect
Tautomerism
Triazines
X-ray crystal structure
Issue Date: Jun-2011
Citation: Sachdeva, N., Dolzhenko, A.V., Chui, W.K. (2011-06). Synthesis and tautomerism study of 6-benzoylmethyl-1,3,5-triazin-2,4- diamine. Comptes Rendus Chimie 14 (6) : 580-587. ScholarBank@NUS Repository. https://doi.org/10.1016/j.crci.2010.10.003
Abstract: From the reaction of biguanide with ethyl benzoylacetate, N-(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)guanidine (1) and 6-benzoylmethyl-1,3,5-triazin-2,4-diamine (2) were isolated. The structural evaluation of 2 was performed theoretically (DFT calculations) and experimentally (NMR spectroscopy and X-ray crystallography). The effects of solvents and temperature on keto-enol-enaminone tautomeric equilibrium were explored. © 2010 Académie des sciences. Published by Elsevier Masson SAS. All rights reserved.
Source Title: Comptes Rendus Chimie
URI: http://scholarbank.nus.edu.sg/handle/10635/106400
ISSN: 16310748
DOI: 10.1016/j.crci.2010.10.003
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