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 Electrostatic potentials mapped on Hirshfeld surfaces provide direct insight into intermolecular interactions in crystals, published in 2008-04-30, which mentions a compound: 14248-66-9, mainly applied to electrostatic potential mapped Hirshfeld surface intermol crystal, Application In Synthesis of 3,5-Dimethyl-4-nitropyridine 1-oxide.

Ab initio electrostatic potentials for mols. can readily be mapped onto their Hirshfeld surfaces and displayed within a crystal packing diagram. In this manner the close mol. contacts in the crystal can be rationalized and discussed in terms of the electrostatic complementarity of touching surface patches in adjacent mols. By way of example a detailed discussion is given of mol. electrostatic potentials for a large number of small, sym., cyclic mols. that crystallize in space groups P41212 or P43212, with a focus on the qual. insight that can be obtained and the ways in which this complements the intermol. electrostatic energies recently reported for some of these materials.

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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 Potentiometric studies of acid-base interactions in substituted 4-nitropyridine N-oxide systems, published in 2006-05-31, which mentions a compound: 14248-66-9, mainly applied to nitropyridine oxide derivative acid base equilibrium constant polar solvent, Formula: C7H8N2O3.

(Acid + base) equilibrium constants, involving the acidity (pKACa) and cationic homoconjugation constants (in the form of lg KANBHB+), have been determined by the potentiometric method in 13 systems formed by substituted 4-nitropyridine N-oxides in the polar aprotic solvent, acetone (AC). The derivatives covered a wide range of proton-acceptor properties and inherent diversified tendencies towards formation of hydrogen-bonded cations. In addition, the constant values (expressed as pKANa and lg KANBHB+) for two of the systems studied, N-oxides of 2-methylamino- and 2-ethylamino-4-nitropyridine, were determined in acetonitrile (AN). The acidity constants in the non-aqueous media studied have been found to change in line with their substituent effects and the sequence of acidity changes in water. The values of the cationic homoconjugation constants increased with increasing basicity of the N-oxides and decreased with increasing solvent basicity.

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Reference:
Isoxazole – Wikipedia,
Isoxazole | C3H3NO – PubChem

The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 3,5-Dimethyl-4-nitropyridine 1-oxide(SMILESS: O=[N+](C1=C(C)C=[N+]([O-])C=C1C)[O-],cas:14248-66-9) is researched.Application In Synthesis of 2,3-Dibromo-1-propanol. The article 《Photosensitized reduction of 4-nitropyridine N-oxides》 in relation to this compound, is published in Bulletin of the Chemical Society of Japan. Let’s take a look at the latest research on this compound (cas:14248-66-9).

Irradiation of EtOH or Me2CHOH solutions of nitropyridine oxides (I; R = H, Me; R1 = NO2) in the presence of MeCOCOMe gave the corresponding I (R1 = NHOH), indicating H abstraction from a solvent mol. by the lowest π, π* triplet state of the nitro compound

After consulting a lot of data, we found that this compound(14248-66-9)Synthetic Route of C7H8N2O3 can be used in many types of reactions. And in most cases, this compound has more advantages.

Reference:
Isoxazole – Wikipedia,
Isoxazole | C3H3NO – PubChem

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

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 Syntheses of sterically hindered zwitterionic pyridinium phenolates as model compounds in nonlinear optics. Part 2., published in 2008-04-30, which mentions a compound: 14248-66-9, mainly applied to zwitterionic pyridinium phenolates preparation model compound nonlinear optic, Quality Control of 3,5-Dimethyl-4-nitropyridine 1-oxide.

Pyridinium phenolates possess a dissym. delocalized π-electron system providing a huge quadratic nonlinearity. They are a promising class of mols. for applications in photoelectronics and photonics. Semiempirical calculations indicate that the interplanar angle between the two aromatic rings leads to enhancement in the NLO properties of these compounds The confirmation of this feature may be provided by the study of a new series of sterically hindered pyridinium phenolates bearing two tert-Bu substituents at the ortho position(s) of the phenolate functionality. Such bulky groups would enhance the solubility of zwitterions in organic solvents and would limit the formation of aggregates. Their efficient preparations by using Suzuki cross-coupling reactions involving 3,5-dialkylated 4-bromopyridine N-oxides are described.

After consulting a lot of data, we found that this compound(14248-66-9)Quality Control of 3,5-Dimethyl-4-nitropyridine 1-oxide can be used in many types of reactions. And in most cases, this compound has more advantages.

Reference:
Isoxazole – Wikipedia,
Isoxazole | C3H3NO – PubChem

The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Derivatives of 4-amino- and 4-nitropyridine》. Authors are Essery, J. M.; Schofield, K..The article about the compound:3,5-Dimethyl-4-nitropyridine 1-oxidecas:14248-66-9,SMILESS:O=[N+](C1=C(C)C=[N+]([O-])C=C1C)[O-]).COA of Formula: C7H8N2O3. Through the article, more information about this compound (cas:14248-66-9) is conveyed.

The following were prepared by conventional procedures. A series of substituted pyridine 1-oxides (substituent given): 3-Et (I), hygroscopic oil, b12 123-5°, picrate, m. 95°; 3-iso-Pr, b0.8 120-2°, picrate, m. 125-6°; 3-tert-Bu (Ia), b1 132-4°, picrate, m. 143-4°; 3,5-Me2, b0.1 116-18°, picrate, m. 135-6°; 2,3,5,6-Me4, needles, m. 139-40°, picrate, m. 144-5°; and 3-Br, -, picrate, m. 144.5-5.5°. I (24.5 g.), 65 ml. concentrated H2SO4 and 34 ml. concentrated HNO3 were warmed to 50° to initiate reaction, then heated 3.5 hrs. at 90-100°, the whole cooled, neutralized with solid K2CO3, filtered, the filtrate extracted with CHCl3 and the CHCl3 concentrated gave 19 g. 3-ethyl-4-nitropyridine 1-oxide (II), yellow needles, m. 68-9°. In similar fashion were prepared the following substd. 4-nitropyridine 1-oxides: 3-iso-Pr, m. 138-9°; 3,5-Me2 (IIa), m. 174-5° (picrate m. 137.5-8.5°); 2,3, 5,6-Me4 (IIb), m. 115-16° (picrate m. 160-1°); 3-Br, m. 156-7° [small amount of 3,4-Br(O2N)C5H3N also formed]. 3-tert-Butyl-2(or 6-)nitropyridine (IIc) m. 104.5-5.5°. To 5 g. II in 100 ml. dry CHCl3 at 0-10° was added 25 ml. PCl3, the whole kept 0.67 hr. at 10° poured on ice, treated with excess NaOH, extracted with CHCl3, and the CHCl3 extracts concentrated to give 3.8 g. 3,4-Et(O2N)C5H3N, b0.25 56-8°. Similarly were prepared 3,4-iso-Pr(O2N)C5H3N, b0.85 82-4° (picrate m. 106-7°); 3,5,4-Me2(O2N)C5H2N.0.5.H2O, m. 38-9° (picrate m. 169-70°); and 2,3,5,6,4-Me4(O2N)C5N.2H2O, m. 198-200° (picrate m. 174-6°). To 13 g. II was added 60 ml. AcCl; a vigorous reaction occurred. Subsequently, the mixture was poured on ice, the whole treated with excess NaOH and the product isolated via CHCl3 extraction to give 8.2 g. 4-chloro-3-ethylpyridine 1-oxide (IId), m. 86° (picrate m. 137-8°). The following substituted 4-chloropyridine 1-oxides were similarly prepared: 3-iso-Pr, hygroscopic, m. 87-8° (picrate m. 130-1°); 3,5-Me2 (III), m. 201-2° (picrate m. 142-3°); 2,3,5,6-Me4, m. 153-4° (picrate m. 154-5°); 3-Br, m. 153.5-4.5° (picrate m. 120-1°). III (2.5 g.) and 18 ml. concentrated aqueous NH3 heated 18 hrs. at 140°, the whole cooled, treated with 2.5 g. K2CO3, evaporated to dryness and the residue extracted with AcEt gave 1.6 g. 4-amino-3,5-dimethylpyridine 1-oxide-2H2O (IV), m. 227-9°, picrate m. 221-3°. 3,4-Me(O2N)C5H3N (2.5 g.), 50 ml. EtOH, 4 ml. 90% H2NNH2.H2O, and a small amount of Raney Ni (V) were heated 0.5 hr. on the steam bath, more V added, the whole filtered, and the filtrate concentrated to give 1.2 g. 3,4-Me(H2N)C5H3N, m. 108-9°. This procedure also gave 3,4-Et(H2N)C5H3N.0.5.H2O, m. 52-3° (picrate m. 196-7°); 3,4-iso-Pr(H2N)C5H3N.0.5.H2O, m. 69-70° (picrate m. 156-7°). To 0.5 g. IV in 5 ml. AcOH was added 0.3 g. Fe dust, the whole heated 1.5 hrs. on the steam bath, cooled, treated with excess NaOH and the product isolated via Et2O extraction to give 0.2 g. 3,5,4-Me2(H2N)C5H2N.2H2O (VI), m. 83-4° (picrate m. 226-7°). Alternately, 2 g. IIa, 25 ml. MeOH, 2 g. Raney Ni, and H gave 1.1 g. VI; the same procedure with IIb gave the amino derivative hemihydrate m. 196-7° (picrate m. 225-6°). Both reduction procedures with IIc gave the amino derivatives, m. 128-9°, λ 292, 228 mμ (log ε 3.56, 4.9) (picrate m. 242°). IId (3 g.) and 18 ml. 30% aqueous MeNH2 heated 18 hrs. at 140° gave, as above with IV, 2.1 g. 3-methyl-4-methylaminopyridine 1-oxide (VII), m. 106-7° (picrate m. 184-5°). Similarly were prepared the following substituted 4-methylaminopyridine 1-oxides: 3-Et, b0.5 120-2°, m. 117-18° (picrate m. 182-3°); 3-iso-Pr (VIII) (no m.p. given) (picrate m. 164-5°); 3,5-Me2, m. 94.5-5.5° (picrate m. 172-3°); 3-Br, hygroscopic solid (picrate m. 189-91°) and 2,3,5,6-Me4, hygroscopic solid (picrate m. 140-1°). VII reduced by Fe in AcOH gave 3,4-Me(MeNH)C5H3N, m. 125-6° (picrate m. 199-200°). VIII hydrogenated as above gave 3,3-iso-Pr-(MeNH)C5H3N, m. 95-6° (picrate m. 159-60°) and this procedure gave the following 3-substituted 4-(MeNH)C5H3N derivatives): 3,5-Me2, m. 119.5-20.5° (picrate m. 194.5-5.5°); 2,3,5,6-Me4, m. 118-19° (picrate m. 160-1°); 3-Br, 92-3°. The following were prepared by the above procedures: 3,4-Me(Me2N)C5H3N (IX), b1 73-5° (picrate m. 172-3°) and IX 1-oxide, b0.15 142-4° (picrate m. 130-1°); 3,4-Et(Me2N)C5H3N (X), b0.6 82-3° (picrate m. 118-19°) and X 1-oxide, b1 178-80° (picrate m. 139-40°); 3,4-iso-Pr-(Me2N)C5H3N (XI), b0.45 79-80° (picrate m. 138-9°) and XI 1-oxide, – (picrate m. 151-2°); 3,5,4-Me2(Me2N)C5H2N (XII), b0.4 69-7° (picrate m. 172-3°) and XII 1-oxide m. 83-4° (picrate m. 115-16°); and 3,4-Br(Me2N)C5H3N (XIII), b0.5 82-4° (picrate m. 182-3°) and XIII 1-oxide, – (picrate m. 160-1°). Ia (3.5 g.) and SO2Cl2 heated 2 hrs. at 110-20° gave 2 products, C9H12ClN, giving picrates, m. 152-3° and 149-50°.

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

Diemer, Vincent; Chaumeil, Helene; Defoin, Albert; Fort, Alain; Boeglin, Alex; Carre, Christiane 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-] ).Electric Literature of C7H8N2O3. 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.

Pyridinium phenolates possess a dissym. delocalized π-electron system providing a huge quadratic nonlinearity. They are a promising class of mols. for applications in photoelectronics and photonics. Semiempirical calculations indicate that the interplanar angle between the two aromatic rings leads to enhancement in the NLO properties of these compounds The confirmation of this feature may be provided by the study of a new series of sterically hindered pyridinium phenolates bearing two tert-Bu substituents at the ortho position(s) of the phenolate functionality. Such bulky groups would enhance the solubility of zwitterions in organic solvents and would limit the formation of aggregates. Their efficient preparations by using Suzuki cross-coupling reactions involving 3,5-dialkylated 4-bromopyridine N-oxides are described.

After consulting a lot of data, we found that this compound(14248-66-9)Electric Literature of C7H8N2O3 can be used in many types of reactions. And in most cases, this compound has more advantages.

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.Application of 14248-66-9.Johnson, Colin David; Katritzky, Alan R.; Shakir, Naeem published the article 《Acidity functions and the protonation of weak bases. VI. Amide acidity function. Its extension and application to N-oxides》 about this compound( cas:14248-66-9 ) in Journal of the Chemical Society [Section] B: Physical Organic. Keywords: AMIDE ACIDITY FUNCTION; PYRIDINE OXIDE PROTONATION; PROTONATION PYRIDINE OXIDE. Let’s learn more about this compound (cas:14248-66-9).

The protonation of pyridine 1-oxides of low basicity in aqueous H2SO4 is correlated by the amide acidity function rather than the Hammett acidity function. The HA-scale was extended by measurements of the second protonation of phenazine 5,10-dioxide (I).

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Reference:
Isoxazole – Wikipedia,
Isoxazole | C3H3NO – PubChem

Application In Synthesis of 3,5-Dimethyl-4-nitropyridine 1-oxide. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 3,5-Dimethyl-4-nitropyridine 1-oxide, is researched, Molecular C7H8N2O3, CAS is 14248-66-9, about Dipole moments and spectroscopic properties of methyl-4-nitropyridine N-oxides. Author is Puszko, A.; Wasylina, L.; Pawelka, Z..

Mol. dipole moments and dipole moments of interaction of 7 Me derivatives of 4-nitropyridine N-oxides were determined in benzene solution Polar and 13C-NMR and UV/Vis manifestations of intramol. interaction indicate that the Me groups modify the electronic interaction between the NO and NO2 groups mainly through steric strain.

Although many compounds look similar to this compound(14248-66-9)Application In Synthesis of 3,5-Dimethyl-4-nitropyridine 1-oxide, 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

Ono, Isao; Hata, Norisuke 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-] ).Recommanded Product: 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.

Irradiation of EtOH or Me2CHOH solutions of nitropyridine oxides (I; R = H, Me; R1 = NO2) in the presence of MeCOCOMe gave the corresponding I (R1 = NHOH), indicating H abstraction from a solvent mol. by the lowest π, π* triplet state of the nitro compound

After consulting a lot of data, we found that this compound(14248-66-9)Recommanded Product: 14248-66-9 can be used in many types of reactions. And in most cases, this compound has more advantages.

Reference:
Isoxazole – Wikipedia,
Isoxazole | C3H3NO – PubChem