Use of the Delépine reaction for synthesis of 4-aminocoumarin from 4-chlorocoumarin was not successful. The product was 4-iminocoumarin instead of 4-aminocoumarin. The 4-iminocoumarin was characterized by elemental analysis and spectral studies (FT-IR, 1H NMR, 13C NMR). Density functional theory calculations for 4-iminocoumarin were performed using molecular structure with optimized geometry. Molecular orbital calculations provided a detailed description of the orbitals, including spatial characteristics, nodal patterns, and the contributions of individual atoms.
Research on Chemical Intermediates – Springer Journals
Published: Jul 4, 2012
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