Detail of "14248-66-9"

Reference

Picolinonitrile derivative

Picolinonitrile derivative. Buelta Casado, Eduardo; Valle Abellan, Maria Carmen (Laboratorios Hubber S. A., Spain). Span. 14248-66-9 and 124-41-4 are cas registry numbers. These chemicals are also mentioned in this article. ES 531227 A1 1 Jul 1985, 6 pp. (Spain) CODEN: SPXXAD. CLASS: ICM: C07D213-72. ICS: A61K031-44. APPLICATION: ES 84-531227 2 Apr 1984. DOCUMENT TYPE: Patent CA Section: 27 (Heterocyclic Compounds (One Hetero Atom)) 2-Pyridinecarbonitrile deriv. I (R1 = OMe) was prepd. from 3,5-dimethyl-4-nitropyridine N-oxide (II) in 2 series of reactions. II was treated with Me2SO4 to yield pyridinium salt III, which reacted with KCN to give I (R1 = NO2), and the product was treated with NaOMe to give I (R1 = OMe). .

1H, 13C and 15N NMR spectral and theoretical studies of some methyl and alkylamino derivatives of 4-halopyridine N-oxides

1H, 13C and 15N NMR spectral and theoretical studies of some methyl and alkylamino derivatives of 4-halopyridine N-oxides. Laihia, K.; Puszko, A.; Linnanto, J. 14248-66-9 are also occured in this study.; Kolehmainen, E. (Department of Chemistry, University of Jyvaskylae, Jyvaskylae FIN-40014, Finland). Journal of Molecular Structure, 783(1-3), 73-78 (English) 2006 Elsevier B.V. CODEN: JMOSB4. ISSN: 0022-2860. DOCUMENT TYPE: Journal CA Section: 22 (Physical Organic Chemistry) Nine new and three earlier known 4-halogen (Cl and Br) substituted pyridine N-oxides have been prepd. and their 1H, 13C and 15N NMR chem. shifts assigned based on PFG 1H, X (X = 13C and 15N) HMQC and HMBC expts. as well as the comparison with our earlier results for substituted pyridine N-oxide derivs. 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** calcns. 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 calcd. 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 calcns. suggest the prevailing of the dimeric amino form for one congener, which is further supported by ESI-TOF MS data. .