Crystal Structure of Ethyl 2,4-Dimethyl-1-phenyl-6-thioxo-1,6-dihydropyrimidine-5-carboxylate: The Product from the Reaction of Ethyl 3-Aminocrotonate, Phenylisothiocyanate and Acetic Anhydride

Title: Crystal Structure of Ethyl 2,4-Dimethyl-1-phenyl-6-thioxo-1,6-dihydropyrimidine-5-carboxylate: The Product from the Reaction of Ethyl 3-Aminocrotonate, Phenylisothiocyanate and Acetic Anhydride
Creator: Cossar, Peter J.; Russell, Cecilia C.; McCluskey, Siobhann N.; Pope, Dylan; Bernhardt, Paul V.; McCluskey, Adam
Relation: ARC
Relation: Journal of Chemical Crystallography Vol. 48, Issue 3, p. 91-95
Publisher Link: http://dx.doi.org/10.1007/s10870-018-0714-6
Publisher: Springer
Resource Type: journal article
Date: 2018
Description: The crystal structure of ethyl 2,4-dimethyl-1-phenyl-6-thioxo-1,6-dihydropyrimidine-5-carboxylate (7) has been determined (monoclinic, P21/n, a 12.5543(9); b 7.6345(4); c 16.1568(14) Å, β 107.210(9)°) revealing a thioamide functional group instead of the thiazine ethyl (Z)-2,4-dimethyl-6-(phenylimino)-6H-1,3-thiazine-5-carboxylate (5) proposed previously. This has required the revision of the published structure for this multicomponent reaction which now has identified (7), not (5), as the product, supported by NMR and IR analysis.
Subject: multicomponent reaction; thiazine; dihydropyrimidine; structure revision
Identifier: http://hdl.handle.net/1959.13/1447403
Identifier: uon:43145
Identifier: ISSN:1074-1542
Language: eng
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