90127-53-0Relevant academic research and scientific papers
A series of 2, 4, 5-trisubstituted oxazole: Synthesis, characterization and DFT modelling
Kadam, Vinay S.,Shaikh, Saminaparwin G.,Patel, Arun L.
, p. 181 - 188 (2016/03/12)
A new series of 2,4,5-trisubstituted oxazole were synthesized with good yields using simple methodology. All the compounds were thoroughly characterized by IR, NMR (1H and 13C) and mass spectrometry and structures of 2-(4-butyloxyphenyl)-4,5-dimethyloxazole (5b) and 4,5-dimethyl-2-(4-(octyloxy)phenyl)oxazole(5e) were unambiguously determined by X-ray crystallography. Evidently, the crystal structures of these compounds showed C-HaN and C-HaO intermolecular interactions. The electronic structures of these compounds were also studied by DFT at B3LYP/6-311G ++ level of theory.
