Category: 14248-66-9

In organic chemistry, atoms other than carbon and hydrogen are generally referred to as heteroatoms. The most common heteroatoms are nitrogen, oxygen and sulfur. Now I present to you an article called Heteroaromaticity. 8. The influence of N-oxide formation on heterocyclic aromaticity, published in 1993-09-10, which mentions a compound: 14248-66-9, mainly applied to Bird aromaticity index heterocyclic N oxide, COA of Formula: C7H8N2O3.

A recently described aromaticity index(author, 1992) has been used to examine the changes in the aromaticity of nitrogen heterocycles that accompany their N-oxidation Some instances are noted where there is an unforeseen increase in aromatic character. The aromaticity indexes is isomeric furoxans can be a useful indication as to their relative stabilities.

If you want to learn more about this compound(3,5-Dimethyl-4-nitropyridine 1-oxide)COA of Formula: C7H8N2O3, you may wish to communicate with the author of the article,or consult the relevant literature related to this compound(14248-66-9).

Reference:
Isoxazole – Wikipedia,
Isoxazole | C3H3NO – PubChem

HPLC of Formula: 14248-66-9. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: 3,5-Dimethyl-4-nitropyridine 1-oxide, is researched, Molecular C7H8N2O3, CAS is 14248-66-9, about Experimental and Theoretical Studies of Acid-Base Equilibria of Substituted 4-Nitropyridine N-Oxides. Author is Berdys, Joanna; Makowski, Mariusz; Makowska, Monika; Puszko, Aniela; Chmurzynski, Lech.

By using the potentiometric titration method, acidity constants in the polar aprotic solvent acetonitrile (in the form of pKaAN values) of cations obtained by protonation of 13 substituted 4-nitropyridine N-oxides and cationic homoconjugation constants (KBHB+) of the cationic acids conjugated with the N-oxides studied have been determined A correlation has been established between the tendency toward cationic homoconjugation (expressed as log KBHB+) and the basicity of the N-oxides in acetonitrile (pKaAN). Further, by using ab initio methods at the RHF and MP2 levels utilizing the Gaussian 6-31G* basis set, energies and Gibbs free energies have been determined of protonation and formation of homocomplexed cations stabilized by O···H···O bridges in the gas phase. The calculated protonation energies, ΔEprot, and Gibbs free enthalpies, ΔGprot, in vacuo have been found to correlate well with the acid dissociation constants (expressed as pKaAN values) of protonated N-oxides, whereas the calculated energies, ΔEBHB+, and Gibbs free energies, ΔGBHB+, of homoconjugation do not correlate with the cationic homoconjugation constant values determined in acetonitrile.

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Reference:
Isoxazole – Wikipedia,
Isoxazole | C3H3NO – PubChem

In organic chemistry, atoms other than carbon and hydrogen are generally referred to as heteroatoms. The most common heteroatoms are nitrogen, oxygen and sulfur. Now I present to you an article called Aromaticity and tautomerism. IV. Free energy-enthalpy correlations for protonation of pyridine bases and azine N-oxides and temperature variation of the HO and HA acidity functions, published in 1974, which mentions a compound: 14248-66-9, mainly applied to pyridine protonation thermodn; heat protonation azine; entropy protonation azine; free energy protonation azine; azine protonation; pK pyridine azine, Application In Synthesis of 3,5-Dimethyl-4-nitropyridine 1-oxide.

Addnl. data considered in abstracting and indexing are available from a source cited in the original document. Thermodn. parameters for the protonation of 9 weakly basic pyridines and 9 azine N-oxides were obtained from pKa measurements at 25, 40, 60, 80, and 90°. Linear ΔH°-pKa correlations were found. The temperature variations of the H0 and HA acidity functions were examined

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Reference:
Isoxazole – Wikipedia,
Isoxazole | C3H3NO – PubChem

Andoh, Toshiwo; Ide, Toshinori; Saito, Morihiko; Kawazoe, Yutaka published an article about the compound: 3,5-Dimethyl-4-nitropyridine 1-oxide( cas:14248-66-9,SMILESS:O=[N+](C1=C(C)C=[N+]([O-])C=C1C)[O-] ).Related Products of 14248-66-9. Aromatic heterocyclic compounds can be classified according to the number of heteroatoms or the size of the ring. The authors also want to convey more information about this compound (cas:14248-66-9) through the article.

The effects of a number of 4-nitroquinoline 1-oxide and 4-nitropyridine 1-oxide derivatives, with varying carcinogenic potencies, on the scission of proteins-DNA complexes were studied in cultured mouse fibroblasts, strain L·P3. With 22 4-nitroquinoline 1-oxide derivatives and 12 4-nitropyridine 1-oxide derivatives tested, an excellent correlation was found between the scission effect of each compound and its carcinogenicity. All carcinogens, whether strong or weak, showed pos. results in the scission test. Strong carcinogens such as 4-nitroquinoline 1-oxide (I) [56-57-5], 2-methyl-4-nitroquinoline 1-oxide [4831-62-3], 6-methyl-4-nitroquinoline 1-oxide [715-48-0], 6-chloro-4-nitroquinoline 1-oxide [3741-12-6], and 4-hydroxyaminoquinoline 1-oxide [4637-56-3] induced the scission at a low concentration of 1 × 10-5M., while weak carcinogens such as 3-methyl-4-nitroquinoline 1-oxide [14073-00-8], 6-n-butyl-4-nitroquinoline 1-oxide [21070-32-6], 6-tert-butyl-4-nitroquinoline 1-oxide [23484-01-7], 6-n-hexyl-4-nitroquinoline 1-oxide [23484-03-9], and 6-carboxy-4-nitroquinoline 1-oxide [1425-67-8] only produced the same effect at dose levels higher than 5 × 10-5M. On the other hand, some noncarcinogenic derivatives such as 8-nitroquinoline 1-oxide [14753-18-5], 4-hydroxy-quinoline 1-oxide [3039-74-5], 4-aminoquinoline 1-oxide [2508-86-3], and 6-nitroquinoline [613-50-3] could not induce the scission, while other noncarcinogens such as 3-nitroquinoline 1-oxide [7433-86-5], 5-nitroquinoline 1-oxide [7613-19-6], and 5-nitroquinoline [607-34-1] did induce scission at concentrations >1 × 10-4M. Throughout these tests the effective concentrations of active compounds were generally much lower than the concentration at which the compounds were cytotoxic; the implication of the results and the feasibility of the present method of anal. as a screening procedure for potential carcinogens and mutagens are discussed.

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Reference:
Isoxazole – Wikipedia,
Isoxazole | C3H3NO – PubChem

The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: 3,5-Dimethyl-4-nitropyridine 1-oxide( cas:14248-66-9 ) is researched.Reference of 3,5-Dimethyl-4-nitropyridine 1-oxide.Makowska, Joanna; Makowski, Mariusz; Gurzynski, Lukasz; Chmurzynski, Lech published the article 《Ab initio studies of acid-base reactions in the substituted 4-nitropyridine N-oxide systems》 about this compound( cas:14248-66-9 ) in Journal of Molecular Structure: THEOCHEM. Keywords: acid base reaction substituted nitropyridine N oxide system MP2. Let’s learn more about this compound (cas:14248-66-9).

The energies and Gibbs free energies of protonation and homocomplexed cation formation were determined by ab initio methods at the RHF, MP2 levels and in the PCM solvation model for 15 4-nitropyridine derivatives using the 6-311 + G** basis set. The results of ab initio calculations confirmed that the acidity constants in the non-aqueous media studied changed in terms of their substituent effects and the sequence of acidity changes in water. Furthermore, the values of the cationic homoconjugation energy parameters and equilibrium constants increased with increasing basicities of the N-oxides studied. The proton-transfer energy surface in the homoconjugated cation of the 2-methyl-4-nitropyridine N-oxide exhibits a double min., with 2.44 kcal/mol energy barrier. This barrier vanishes when the thermodn. correction is included.

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Reference:
Isoxazole – Wikipedia,
Isoxazole | C3H3NO – PubChem