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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 |
| Appears in Collections: | Staff Publications |
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