Crystal structure and identification of a pyrimido[6,1-b][1,3]oxazin-6-one derivative from the reaction of acrolein with 5-(phenoxymethyl)-2-amino-2-oxazoline
| hal.structure.identifier | Acides Nucléiques : Régulations Naturelle et Artificielle [ARNA] | |
| dc.contributor.author | GUILLON, Jean | |
| hal.structure.identifier | Acides Nucléiques : Régulations Naturelle et Artificielle [ARNA] | |
| dc.contributor.author | RUBIO, Sandra | |
| hal.structure.identifier | Acides Nucléiques : Régulations Naturelle et Artificielle [ARNA] | |
| dc.contributor.author | SAVRIMOUTOU, Solène | |
| hal.structure.identifier | Acides Nucléiques : Régulations Naturelle et Artificielle [ARNA] | |
| dc.contributor.author | HALLÉ, François | |
| hal.structure.identifier | Acides Nucléiques : Régulations Naturelle et Artificielle [ARNA] | |
| dc.contributor.author | MOREAU, Stéphane | |
| hal.structure.identifier | Agents infectieux, résistance et chimiothérapie - UR UPJV 4294 [AGIR ] | |
| dc.contributor.author | SONNET, Pascal | |
| hal.structure.identifier | Institut de Chimie de la Matière Condensée de Bordeaux [ICMCB] | |
| dc.contributor.author | MARCHIVIE, Mathieu | |
| dc.date.issued | 2018-11 | |
| dc.identifier.issn | 1631-0748 | |
| dc.description.abstractEn | The X-ray crystal structure of 2-(4,5-dihydro-5-phenoxymethyl-1,3-oxazol-2-ylamino)-7-(2-hydroxy-3-phenoxypropyl)hexahydro-2H,6H-pyrimido[6,1-b][1,3]oxazin-6-one (1), a structure of adduct formed by the reaction of 5-(phenoxymethyl)-2-amino-2-oxazoline and acrolein, has been established. The present work deals with the structural identification of the adduct 1 and presents a plausible mechanism for its formation. It crystallizes in the monoclinic space group P21/c with cell parameters a = 21.3337 (10) Å, b = 11.3712 (7) Å, c = 10.4936 (7) Å, β = 103.041 (3), V = 2480.0 (3) Å3, Z = 4. C26H32N4O6, Dc = 1.330 g/cm3, μ (Cu Kα) = 1.5418 Å, S = 1.188, F (000) = 1056, R = 0.0501, and wR = 0.1584. | |
| dc.language.iso | en | |
| dc.publisher | Académie des sciences (Paris) | |
| dc.subject.en | Pyrimido[6 | |
| dc.subject.en | 1-b][1 | |
| dc.subject.en | 3]oxazin-6-one | |
| dc.subject.en | 2-Amino-2-oxazoline | |
| dc.subject.en | Michael reaction | |
| dc.subject.en | X-ray crystal structure | |
| dc.title.en | Crystal structure and identification of a pyrimido[6,1-b][1,3]oxazin-6-one derivative from the reaction of acrolein with 5-(phenoxymethyl)-2-amino-2-oxazoline | |
| dc.type | Article de revue | |
| dc.identifier.doi | 10.1016/j.crci.2018.09.013 | |
| dc.subject.hal | Chimie/Matériaux | |
| bordeaux.journal | Comptes Rendus. Chimie | |
| bordeaux.page | 987-992 | |
| bordeaux.volume | 21 | |
| bordeaux.issue | 11 | |
| bordeaux.peerReviewed | oui | |
| hal.identifier | hal-01922305 | |
| hal.version | 1 | |
| hal.popular | non | |
| hal.audience | Internationale | |
| hal.origin.link | https://hal.archives-ouvertes.fr//hal-01922305v1 | |
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