4-[4-(4-Fluorophenyl)-2-methyl-5-oxo-2,5-dihydroisoxazol-3-yl]pyridinium iodide-4-[3-(4-fluorophenyl)-2-methyl-5-oxo-2,5-dihydroisoxazol-4-yl]pyridinium iodide (0.6/0.4) was written by Margutti, Simona;Schollmeyer, Dieter;Laufer, Stefan. And the article was included in Acta Crystallographica, Section E: Structure Reports Online in 2008.Synthetic Route of C10H11FO2 This article mentions the following:
The crystal structure of 4-[4-(4-fluorophenyl)-2-methyl-5-oxo-2,5-dihydroisoxazol-3-yl]pyridinium iodide-4-[3-(4-fluorophenyl)-2-methyl-5-oxo-2,5-dihydroisoxazol-4-yl]pyridinium iodide (0.6/0.4), C16H16FN2O2+·I–, was determined as part of a study of the biol. activity of isoxazolone derivatives as p38 mitogen-activated protein kinase (MAPK) inhibitors. The x-ray crystal structure of 4-[4-(4-fluorophenyl)-2-Me-5-oxo-2,5-dihydroisoxazol-3-yl]pyridinium iodide showed the regioisomer 4-[3-(4-fluorophenyl)-2-Me-5-oxo-2,5-dihydroisoxazol-4-yl]pyridinium iodide. The synthesis of the former compound was achieved by reacting 4-(4-fluorophenyl)-3-(4-pyridyl)isoxazol-5(2H)-one after treatment with Et3N in DMF, with iodomethane. The unexpected formation of the regioisomer could be explained by a rearrangement occurring via aziridine of the isoxazolone compound The regioisomers have site occupancies of 0.632(4)/0.368(4). The 2 6 members rings make a dihedral angle of 66.8(2)°. Crystallog. data are given. In the experiment, the researchers used many compounds, for example, Ethyl 2-(4-fluorophenyl)acetate (cas: 587-88-2Synthetic Route of C10H11FO2).
Ethyl 2-(4-fluorophenyl)acetate (cas: 587-88-2) belongs to esters. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. Many esters have the potential for conformational isomerism, but they tend to adopt an s-cis (or Z) conformation rather than the s-trans (or E) alternative, due to a combination of hyperconjugation and dipole minimization effects. The preference for the Z conformation is influenced by the nature of the substituents and solvent, if present. Lactones with small rings are restricted to the s-trans (i.e. E) conformation due to their cyclic structure.Synthetic Route of C10H11FO2
Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics