So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic.Laihia, K.; Puszko, A.; Linnanto, J.; Kolehmainen, E. researched the compound: 3,5-Dimethyl-4-nitropyridine 1-oxide( cas:14248-66-9 ).COA of Formula: C7H8N2O3.They published the article 《1H, 13C and 15N NMR spectral and theoretical studies of some methyl and alkylamino derivatives of 4-halopyridine N-oxides》 about this compound( cas:14248-66-9 ) in Journal of Molecular Structure. Keywords: halopyridine oxide methyl alkylamino derivative NMR tautomerism. We’ll tell you more about this compound (cas:14248-66-9).
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.
After consulting a lot of data, we found that this compound(14248-66-9)COA of Formula: C7H8N2O3 can be used in many types of reactions. And in most cases, this compound has more advantages.
Reference:
Isoxazole – Wikipedia,
Isoxazole | C3H3NO – PubChem