Application of 2689-65-8. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: 5-Iodo-2-furaldehyde, is researched, Molecular C5H3IO2, CAS is 2689-65-8, about Chemical shifts and JC13-H coupling constants in 5-substituted furfurals. Author is Rodriguez, M.; Gra Rios, Rafael.
The coupling constants between 13C and H were obtained from the PMR spectra of 5 substituted furfurals in 3M solutions in Me2SO. The charge ds. were calculated by using the Pariser Parr-Pople method. Good correlations were found for the chem. shifts for the H atom except for the 3 position. Therefore in positions 4 and α, the chem. shifts depend mainly of the π-electron d., whereas for the 3 position, the mesomeric effect of the substituent may be neglected. For the coupling constants there is a linear relation between JC13-Hα, JC13-H3 and the McDaniel and Brown (1958) constants σp and σm resp. For JC13-H4 vs. σp, the correlation is poor. The linear correlation between JC13-H3 and the chem. shifts for the H in position 3 implies that the chem. shifts in the 3 position are determined by electronic factors, mainly by variations in the σ-electron d.
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Reference:
1,8-Naphthyridine – Wikipedia,
1,8-Naphthyridine | C8H6N2 – PubChem