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
Language
en
Article de revue
This item was published in
Comptes Rendus. Chimie. 2018-11, vol. 21, n° 11, p. 987-992
Académie des sciences (Paris)
English Abstract
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 ...Read more >
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.Read less <
English Keywords
Pyrimido[6
1-b][1
3]oxazin-6-one
2-Amino-2-oxazoline
Michael reaction
X-ray crystal structure
Origin
Hal imported