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Ethyl 6-methyl-4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-3-yl]-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
A new Biginelli compound, C(18)H(25)BN(2)O(4)S(2), containing a boronate ester group was synthesized from a lithium bromide-catalysed reaction. The compound crystallizes with two independent molecules in the asymmetric unit that differ mainly in the conformation of the ester functionality. The crys...
| Autores principales: | , , , , |
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| Formato: | Texto |
| Lenguaje: | English |
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International Union of Crystallography
2008
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2961284/ https://www.ncbi.nlm.nih.gov/pubmed/21202410 http://dx.doi.org/10.1107/S1600536808005965 |
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| author | Decken, Andreas Zamora, Matthew T. Duguay, Dominique R. Vogels, Christopher M. Westcott, Stephen A. |
| author_facet | Decken, Andreas Zamora, Matthew T. Duguay, Dominique R. Vogels, Christopher M. Westcott, Stephen A. |
| author_sort | Decken, Andreas |
| collection | PubMed |
| description | A new Biginelli compound, C(18)H(25)BN(2)O(4)S(2), containing a boronate ester group was synthesized from a lithium bromide-catalysed reaction. The compound crystallizes with two independent molecules in the asymmetric unit that differ mainly in the conformation of the ester functionality. The crystal structure is stabilized by intermolecular N—H⋯O and N—H⋯S hydrogen bonds involving the 3,4-dihydropyrimidine-2(1H)-thione NH groups as donors and the carbonyl O and thiophene S atoms as acceptors. |
| format | Text |
| id | pubmed-2961284 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2008 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-29612842010-12-30 Ethyl 6-methyl-4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-3-yl]-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate Decken, Andreas Zamora, Matthew T. Duguay, Dominique R. Vogels, Christopher M. Westcott, Stephen A. Acta Crystallogr Sect E Struct Rep Online Organic Papers A new Biginelli compound, C(18)H(25)BN(2)O(4)S(2), containing a boronate ester group was synthesized from a lithium bromide-catalysed reaction. The compound crystallizes with two independent molecules in the asymmetric unit that differ mainly in the conformation of the ester functionality. The crystal structure is stabilized by intermolecular N—H⋯O and N—H⋯S hydrogen bonds involving the 3,4-dihydropyrimidine-2(1H)-thione NH groups as donors and the carbonyl O and thiophene S atoms as acceptors. International Union of Crystallography 2008-04-26 /pmc/articles/PMC2961284/ /pubmed/21202410 http://dx.doi.org/10.1107/S1600536808005965 Text en © Decken et al. 2008 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
| spellingShingle | Organic Papers Decken, Andreas Zamora, Matthew T. Duguay, Dominique R. Vogels, Christopher M. Westcott, Stephen A. Ethyl 6-methyl-4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-3-yl]-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| title | Ethyl 6-methyl-4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-3-yl]-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| title_full | Ethyl 6-methyl-4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-3-yl]-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| title_fullStr | Ethyl 6-methyl-4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-3-yl]-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| title_full_unstemmed | Ethyl 6-methyl-4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-3-yl]-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| title_short | Ethyl 6-methyl-4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-3-yl]-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| title_sort | ethyl 6-methyl-4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-3-yl]-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| topic | Organic Papers |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2961284/ https://www.ncbi.nlm.nih.gov/pubmed/21202410 http://dx.doi.org/10.1107/S1600536808005965 |
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