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
| Autor: | Pascal Sonnet, Jean Guillon, Solène Savrimoutou, Sandra Rubio, Stéphane Moreau, Mathieu Marchivie, François Hallé |
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| Přispěvatelé: | Acides Nucléiques : Régulations Naturelle et Artificielle (ARNA), Université de Bordeaux (UB)-Institut National de la Santé et de la Recherche Médicale (INSERM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Agents infectieux, résistance et chimiothérapie - UR UPJV 4294 (AGIR ), Université de Picardie Jules Verne (UPJV)-CHU Amiens-Picardie, Institut de Chimie de la Matière Condensée de Bordeaux (ICMCB), Université de Bordeaux (UB)-Institut Polytechnique de Bordeaux-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Toulin, Stéphane |
| Rok vydání: | 2018 |
| Předmět: |
General Chemical Engineering
1-b][1 Oxazoline Crystal structure 030226 pharmacology & pharmacy 01 natural sciences Adduct 03 medical and health sciences chemistry.chemical_compound 0302 clinical medicine 2-Amino-2-oxazoline [CHIM.MATE] Chemical Sciences/Material chemistry 010405 organic chemistry Acrolein [CHIM.MATE]Chemical Sciences/Material chemistry General Chemistry X-ray crystal structure 0104 chemical sciences 3. Good health Crystallography chemistry Michael reaction Pyrimido[6 3]oxazin-6-one Derivative (chemistry) Monoclinic crystal system |
| Zdroj: | Comptes Rendus. Chimie Comptes Rendus. Chimie, Académie des sciences (Paris), 2018, 21 (11), pp.987-992. ⟨10.1016/j.crci.2018.09.013⟩ Comptes Rendus. Chimie, 2018, 21 (11), pp.987-992. ⟨10.1016/j.crci.2018.09.013⟩ |
| ISSN: | 1631-0748 1878-1543 |
| DOI: | 10.1016/j.crci.2018.09.013 |
| Popis: | International audience; 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. |
| Databáze: | OpenAIRE |
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