Ethyl 2-isopropyl­amino-5-methyl-4-oxo-3-phenyl-3,4-dihydro­thieno[2,3-d]pyrimidine-6-carboxyl­ate

The title compound, C(19)H(21)N(3)O(3)S, was synthesized via an aza-Wittig reaction of a functionalized imino­phospho­rane with phenyl isocyanate under mild conditions. In the mol­ecule, the fused thienopyrimidine ring system makes a dihedral angle of 66.30 (11)° with the phenyl ring. An intra­molec...

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Detalles Bibliográficos
Autores principales: Zheng, Ai-Hua, Huang, Liang-Yong, Chen, E., Luo, Hong
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2971898/
https://www.ncbi.nlm.nih.gov/pubmed/21578733
http://dx.doi.org/10.1107/S1600536809045449
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author Zheng, Ai-Hua
Huang, Liang-Yong
Chen, E.
Luo, Hong
author_facet Zheng, Ai-Hua
Huang, Liang-Yong
Chen, E.
Luo, Hong
author_sort Zheng, Ai-Hua
collection PubMed
description The title compound, C(19)H(21)N(3)O(3)S, was synthesized via an aza-Wittig reaction of a functionalized imino­phospho­rane with phenyl isocyanate under mild conditions. In the mol­ecule, the fused thienopyrimidine ring system makes a dihedral angle of 66.30 (11)° with the phenyl ring. An intra­molecular C—H⋯O hydrogen bond occurs. The terminal –OCH(2)CH(3) group is disordered over two sites with refined occupancies of 0.537 (13) and 0.463 (13). The crystal packing is stabilized by inter­molecular C—H⋯O and N—H⋯O hydrogen bonds.
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spelling pubmed-29718982010-12-30 Ethyl 2-isopropyl­amino-5-methyl-4-oxo-3-phenyl-3,4-dihydro­thieno[2,3-d]pyrimidine-6-carboxyl­ate Zheng, Ai-Hua Huang, Liang-Yong Chen, E. Luo, Hong Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(19)H(21)N(3)O(3)S, was synthesized via an aza-Wittig reaction of a functionalized imino­phospho­rane with phenyl isocyanate under mild conditions. In the mol­ecule, the fused thienopyrimidine ring system makes a dihedral angle of 66.30 (11)° with the phenyl ring. An intra­molecular C—H⋯O hydrogen bond occurs. The terminal –OCH(2)CH(3) group is disordered over two sites with refined occupancies of 0.537 (13) and 0.463 (13). The crystal packing is stabilized by inter­molecular C—H⋯O and N—H⋯O hydrogen bonds. International Union of Crystallography 2009-11-04 /pmc/articles/PMC2971898/ /pubmed/21578733 http://dx.doi.org/10.1107/S1600536809045449 Text en © Zheng et al. 2009 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
Zheng, Ai-Hua
Huang, Liang-Yong
Chen, E.
Luo, Hong
Ethyl 2-isopropyl­amino-5-methyl-4-oxo-3-phenyl-3,4-dihydro­thieno[2,3-d]pyrimidine-6-carboxyl­ate
title Ethyl 2-isopropyl­amino-5-methyl-4-oxo-3-phenyl-3,4-dihydro­thieno[2,3-d]pyrimidine-6-carboxyl­ate
title_full Ethyl 2-isopropyl­amino-5-methyl-4-oxo-3-phenyl-3,4-dihydro­thieno[2,3-d]pyrimidine-6-carboxyl­ate
title_fullStr Ethyl 2-isopropyl­amino-5-methyl-4-oxo-3-phenyl-3,4-dihydro­thieno[2,3-d]pyrimidine-6-carboxyl­ate
title_full_unstemmed Ethyl 2-isopropyl­amino-5-methyl-4-oxo-3-phenyl-3,4-dihydro­thieno[2,3-d]pyrimidine-6-carboxyl­ate
title_short Ethyl 2-isopropyl­amino-5-methyl-4-oxo-3-phenyl-3,4-dihydro­thieno[2,3-d]pyrimidine-6-carboxyl­ate
title_sort ethyl 2-isopropyl­amino-5-methyl-4-oxo-3-phenyl-3,4-dihydro­thieno[2,3-d]pyrimidine-6-carboxyl­ate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2971898/
https://www.ncbi.nlm.nih.gov/pubmed/21578733
http://dx.doi.org/10.1107/S1600536809045449
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AT chene ethyl2isopropylamino5methyl4oxo3phenyl34dihydrothieno23dpyrimidine6carboxylate
AT luohong ethyl2isopropylamino5methyl4oxo3phenyl34dihydrothieno23dpyrimidine6carboxylate

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