The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: 3,5-Dimethyl-4-nitropyridine 1-oxide, is researched, Molecular C7H8N2O3, CAS is 14248-66-9, about 1H, 13C and 15N NMR spectral and theoretical studies of some methyl and alkylamino derivatives of 4-halopyridine N-oxides, the main research direction is halopyridine oxide methyl alkylamino derivative NMR tautomerism.Category: isoxazole.
Nine new and three earlier known 4-halogen (Cl and Br) substituted pyridine N-oxides have been prepared and their 1H, 13C and 15N NMR chem. shifts assigned based on PFG 1H, X (X = 13C and 15N) HMQC and HMBC experiments as well as the comparison with our earlier results for substituted pyridine N-oxide derivatives The 15N resonances of the pyridine nitrogen are 27-40 ppm more shielded in 4-halo-2-alkylamino-6-methyl-5-nitropyridine N-oxide than in parent 4-halopyridine N-oxide. According to quantum chem. ab initio HF/6-311G** calculations the amino tautomer of 4-chloro-2-methylamino-6-methyl-5-nitropyridine N-oxide is more stable than its imino form. Using B3LYP/6-311G** optimized structures both 13C and 15N shifts were calculated by d. functional B3LYP/6-311G** CSGT methods for the amino and imino tautomers as well as for the dimeric structure for 4-chloro-2-methylamino-6-methyl-5-nitropyridine N-oxide. The 15N NMR and DFT calculations suggest the prevailing of the dimeric amino form for one congener, which is further supported by ESI-TOF MS data.
Although many compounds look similar to this compound(14248-66-9)Category: isoxazole, numerous studies have shown that this compound(SMILES:O=[N+](C1=C(C)C=[N+]([O-])C=C1C)[O-]), has unique advantages. If you want to know more about similar compounds, you can read my other articles.
Reference:
Isoxazole – Wikipedia,
Isoxazole | C3H3NO – PubChem