Category: 2402-95-1

The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: 2-Chloropyridine 1-oxide( cas:2402-95-1 ) is researched.HPLC of Formula: 2402-95-1.Ma, Yun-Sheng; Zha, Li-Qin; Cai, Wang-Shui; Tang, Xiao-Yan; Yuan, Rong-Xin published the article 《Two cobalt monophosphonates: Syntheses, structures and magnetic properties》 about this compound( cas:2402-95-1 ) in Inorganica Chimica Acta. Keywords: hydrothermal preparation crystal structure magnetic property cobalt hydroxypyridinephosphonate complex. Let’s learn more about this compound (cas:2402-95-1).

Hydrolysis of di-Et 6-chloro-2-pyridinephosphonate in HCl solution affords 6-hydroxy-2-pyridinephosphonic acid (H2hppa 1). In the structure, extensive hydrogen bonding interactions link the phosphonic acid mols. into a two-dimensional network. Reactions of H2hppa and cobalt acetate under hydrothermal conditions result in a new cobalt phosphonate Co(hppa)(H2O) (2). Compound 2 shows a layer structure, in which {Co2O2} dimers are connected through the corner-sharing of {CoO5N} octahedra and {PO3C} tetrahedra, forming an inorganic double-layer. Introduction of a second ligand (1,4-bis(imidazol-1-ylmethyl)benzene, L (8)) in the reaction system, compound [Co(hppa)(L)0.5(H2O)]·H2O (3) was obtained. In this structure, Co2+ ions are bridged by O-P-O bridges into an inorganic layer and the layers are pillared up by 1,4-bis(imidazol-1-ylmethyl)benzene. Magnetic study suggests that the existence of weak ferromagnetic coupling between Co2+ ions in the {Co2O2} unit for 2. For compound 3, O-P-O bridges mediate very weak antiferromagnetic interactions.

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Reference:
Isoxazole – Wikipedia,
Isoxazole | C3H3NO – PubChem

Synthetic Route of C5H4ClNO. Aromatic heterocyclic compounds can also be classified according to the number of heteroatoms contained in the heterocycle: single heteroatom, two heteroatoms, three heteroatoms and four heteroatoms. Compound: 2-Chloropyridine 1-oxide, is researched, Molecular C5H4ClNO, CAS is 2402-95-1, about Cu(I)-mediated deoxygenation of N-oxides to amines. Author is Singh, Sunil Kumar; Reddy, M. Srinivasa; Mangle, Mangesh; Ganesh, K. Ravi.

A mild and highly efficient deoxygenation of variety of N-oxides using an inexpensive CuX (X = I, Cl) or a CuX-Zn or CuX-Al couple is described. Though CuX alone effectively deoxygenates the aliphatic and aromatic N-oxides in aprotic solvents at lower temperature (30-50°C), the CuX-Zn and CuX-Al systems require refluxing the substrates (viz., nitrone, azoxybenzene, and heteroarene N-oxides) in ethanol at 50-60°C.

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Reference:
Isoxazole – Wikipedia,
Isoxazole | C3H3NO – PubChem

Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) called Periselectivity between the [1,4] and [3,3] thermal sigmatropic rearrangements of 2-allyloxypyridine N-oxides, Author is Alker, David; Ollis, W. David; Shahriari-Zavareh, Hooshang, which mentions a compound: 2402-95-1, SMILESS is ClC1=CC=CC=[N+]1[O-], Molecular C5H4ClNO, Name: 2-Chloropyridine 1-oxide.

Thermal rearrangement of 2-allyloxpyridine N-oxides I (R = H, OMe, NO2) yields N-allyloxy-2-pyridones II and 3-allyl-N-hydroxy-2-pyridones III. These transformations are regiospecific and on this basis it is proposed that the reactions involve concerted [1,4] and [3,3] sigmatropic rearrangements. Supporting evidence based on solvent effects, temperature effects, and substituent effects is given.

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Isoxazole – Wikipedia,
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The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: 2-Chloropyridine 1-oxide, is researched, Molecular C5H4ClNO, CAS is 2402-95-1, about Alkyl transfer with retention and inversion of configuration: reexamination of a putative [1s,4s] sigmatropic rearrangement, the main research direction is Tieckelmann rearrangement sigmatropic alkoxypyridineoxide ab initio; kinetics sigmatropic rearrangement alkoxypyridineoxide configuration retention.Recommanded Product: 2402-95-1.

The thermal rearrangement of 2-alkoxypyridine-1-oxides to 1-alkoxy-2-pyridones, which has been reported to proceed by an intramol. [1s,4s] sigmatropic migration of the alkyl group with retention of configuration and first-order kinetics, has been reexamined The intramol. barriers have been computed to be at least 20 kcal mol-1 higher than the reported exptl. barriers. An alternative bimol. mechanism, discovered computationally, has been confirmed by a variety of experiments including crossover studies, determination of solvent effects and secondary H/D isotope effects, and new kinetic and stereochem. studies. In the new mechanism there is an initial intermol. transfer of the alkyl group, with inversion of configuration, to the N-oxide. Depending on the nature of the alkyl group and the solvent, this is followed by a second transfer, also with inversion of configuration, of one of the alkyl groups of the cationic intermediate to one of the oxygens of the anionic intermediate. The product is then formed either without crossover, by a double inversion of one alkyl group, or with crossover by two single inversions of different alkyl groups. The proposed intermediates of this mechanism can be synthesized; they react to form a 1-alkoxy-2-pyridone at room temperature

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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 Structure and reactivity of 2-aminopyridine 1-oxide, published in 1957, which mentions a compound: 2402-95-1, mainly applied to , Reference of 2-Chloropyridine 1-oxide.

2-Aminopyridine 1-oxide (I) was prepared Comparison of its ultraviolet spectrum with those of 2-methylimino- and 2-imino-1-methoxy-1,4-dihydropyridine (II) showed that I does not exist mainly in the tautomeric imino form. Et 2-pyridinecarbamate (III), 72 cc. AcOH, and 43 cc. 30% aqueous H2O2 kept overnight at 70°, the solid (IV) filtered off, volatile material removed from the filtrate in vacuo, the residue and IV refluxed overnight with 40 cc. concentrated HCl, volatile material removed in vacuo, 50 cc. EtOH and alc. NaOEt (from 6 g. Na in 150 cc. EtOH) added followed by small pieces of solid CO2 until the solution was no longer alk., the mixture filtered, the filtrate evaporated, and the residue crystallized from EtOH-EtOAc gave 16.1 g. I, m. 157-62°, and when further recrystallized m. 163-4°, λ0.1N HCl 231, 301 mμ (ε 8080, 5230), λ0.1N NaOH 221,310 mμ (ε 23,300, 3900), inflection 239 mμ (ε 6900), λEtOH 227,251,321 mμ (ε 25,000, 5740, 4610). 2-Chloropyridine (22.6 g.), 150 cc. AcOH, and 50 cc. 30% aqueous H2O2 heated overnight at 80°, volatile material removed in vacuo, 140 cc. CHCl3 added, the mixture digested with 17 g. K2CO3 5 min. at 65°, the precipitate filtered off, washed with 60 cc. CHCl3, and filtrate and washings evaporated gave 19.75 g. 2-chloropyridine 1-oxide (V), m. 67-8.5° (from EtOAc). V (7 g.) and 40 cc. 25% aqueous MeNH2 heated 12 hrs. at 140°, 4 g. K2CO3 added, the whole evaporated to dryness in vacuo, the residue extracted with EtOH, the extracts evaporated, and the residue crystallized from EtOAc gave 5.5 g. 2-methylaminopyridine 1-oxide (VI), needles, m. 103-5°, or prisms, m. 68-70°, giving a dark blue color with FeCl3, λ0.1N HCl 236, 314 mμ (ε 7950, 4250), λ0.1N NaOH 226, 324 mμ (ε 18,700, 3640), inflection 246 mμ (ε 5500) [picrate (VII), needles, m. 155.5-7.0° (from EtOH); picrolonate (VIII), yellow needles, m. 201-3° (from EtOH); HCl salt, needles, m. 203-4° (from EtOH)]. To 0.3 g. VI was added 0.5 cc. Ac2O, the whole left overnight at 18°, EtOH added, the mixture evaporated in vacuo, treated with CHCl3 and K2CO3, filtered, and evaporated to give 0.28 g. Ac derivative, hygroscopic prisms, m. 95-7° (from EtOAc), giving no color with FeCl3. Prepared like VI in about 80% yield, 2-dimethylaminopyridine 1-oxide, b0.25 143-5° (bath temperature), nD20 1.6117, giving no color with FeCl3, λ0.1N HCl 243, 320 mμ (ε 7370, 4470), λ0.1N NaOH 236, 319 mμ (ε 16,500, 2690), inflection 261 mμ (ε 5400) [picrate, plates, m. 142.5-4.0° (from EtOH); picrolonate, orange-yellow prisms, m. 180-1° (decomposition) (from EtOH)]. Attempted preparation of II: I (5.5 g.) heated overnight at 100° with 9.3 g. p-MeC6H4SO3Me (IX) and the product crystallized from EtOH-EtOAc gave 12.66 g. 2-amino-1-methoxypyridinium p-toluenesulfonate (X), prisms, m. 127-9°, giving no color with FeCl3. X (0.6 g.) in EtOH treated with 5.5 cc. 0.4N NaOEt, the solid filtered off, and 0.46 g. picric acid in EtOH added gave 0.40 g. 2-amino-1-methoxypyridinium (XI) picrate (XII), yellow needles, m. 169.5-71° (from EtOH), its infrared spectrum quite distinct from those of VII and 2-aminopyridinium picrate, needles, m. 222-3° (from EtOH). Similarly to XI was prepared XI picrolonate, yellow prisms, m. 245-7° (decomposition), its infrared spectrum distinct from those of VIII and 2-aminopyridinium picrolonate, yellow prisms, m. 269-71° (decomposition) (from EtOH). X (1.48 g.) in 3 cc. EtOH treated with 0.8 cc. 60% HClO4 gave 0.95 g. perchlorate, laths, m. 182-4° (from EtOH), λ0.1N HCl 230, 299 mμ (ε 7670, 5870), λ0.1N NaOH 230, 291 mμ (ε 8890, 4400). X (0.6 g.) in 3 cc. pyridine and 0.4 g. 3,5-(O2N)2C6H3COCl (XIII) kept overnight at room temperature and treated with aqueous NaOH gave 2-(3,5-dinitrobenzoylimino)-1,2-dihydro-1-methoxypyridine, pale yellow needles, m. 219-20° (from EtOH). VI (1.24 g.) and 1.86 g. IX heated 24 hrs. at 100° gave 2.33 g. 1-methoxy-2-methylaminopyridinium p-toluenesulfonate, prisms, m. 98-100° (from MeCN-EtOAc), λ0.1N NaOH 237, 297, 302 mμ (ε 9400, 3390, 3370), inflection 236 mμ (ε 9650), λ0.1N HCl 235, 314 mμ (ε 10,900, 6590). I (1 g.), 6 cc. pyridine, and 2.4 cc. BzCl kept overnight, and H2O added, gave 1.57 g. 2-benzamidopyridine 1-oxide (XIV) benzoate (XV), needles, m. 94-5° (from C6H6-petr. ether). XV (0.75 g.) treated in CHCl3, with 1 g. K2CO3, the mixture filtered, and the filtrate evaporated gave 0.47 g. XIV, m. 122-4° (from EtOH), giving a red color with FeCl3. BzCl (0.6 cc.) and 0.55 g. I in 5 cc. hot MeCN kept overnight at room temperature gave 0.43 g. 1-benzoyloxy-1,2-dihydro-2-iminopyridine (XVI), needles, m. 158-9° (from EtOH), giving no color with FeCl3. XVI recrystallized from EtOH and left in the mother liquor for 4 days gave XIV. 2-Benzamidopyridine (0.32 g.), 6 cc. AcOH, and 0.2 cc. 30% aqueous H2O2 kept overnight at 70° and worked up gave XIV. I (0.55 g.) in 10 cc. hot MeCN treated with 0.5 cc. EtO2CCl and kept 2 days gave a low yield of Et 2-pyridinecarbamate 1-oxide. I (1.1 g.), 10 cc. MeCN, and 1 cc. Ac2O kept overnight gave 0.82 g. 2-acetamidopyridine 1-oxide, rods, m. and mixed m.p. 140.5-1.0°. I (1 g.) and 3 cc. (CO2Et)2 boiled 10 min. and EtOH added to the cooled solution gave 0.2 g. N,N’-di-2-pyridyloxamide 1,1′- dioxide, which separated from AcOH as the diacetate, plates, m. and mixed m.p. 270° (deompn.) (varying with rate of heating). PhNCO (0.6 g.) and 0.55 g. I in 10 cc. hot MeCN kept 2 days at room temperature gave 0.52 g. 2-N-phenylureidopyridine 1-oxide, needles, m. and mixed m.p. 212-13° to 220-0.5° (varying with the rate of heating). XIII (1.15 g.) added to 0.55 g. I in 10 cc. hot MeCN and worked up after 30 hrs. at room temperature gave 0.98 g. 2-(3,5-dinitrobenzamido)-pyridine 1-oxide, separating from AcOH as the acetate, needles, m. 216-17°. I did not react smoothly with (EtO)2CO, o-C6H4(CO)2O, α-naphthyl thiocyanate, or CS2. III (1.66 g. and 0.9 cc. morpholine refluxed 18 hrs., cooled, and recrystallized from C6H6-petr. ether gave 1.05 g. 2-morpholinocarbonylaminopyridine, needles, m. 91-2.5°. To 1.1 g. I in 2 cc. concentrated HCl was added 4 g. ice followed by dropwise addition of 0.9 g. KNO2 in 5 cc. H2O and the mixture gradually added to 1.44 g. β-naphthol in 12 cc. 10% aqueous NaOH and 6 g. ice gave 1.15 g. 2-(2-hydroxy-1-naphthylazo)pyridine 1-oxide, crimson plates, m. 215-16° (decomposition)(from EtOH), λEtOH 225, 292, 466 mμ (ε 12,100, 5800, 5600).

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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 Two cobalt monophosphonates: Syntheses, structures and magnetic properties, published in 2013-09-01, which mentions a compound: 2402-95-1, mainly applied to hydrothermal preparation crystal structure magnetic property cobalt hydroxypyridinephosphonate complex, COA of Formula: C5H4ClNO.

Hydrolysis of di-Et 6-chloro-2-pyridinephosphonate in HCl solution affords 6-hydroxy-2-pyridinephosphonic acid (H2hppa 1). In the structure, extensive hydrogen bonding interactions link the phosphonic acid mols. into a two-dimensional network. Reactions of H2hppa and cobalt acetate under hydrothermal conditions result in a new cobalt phosphonate Co(hppa)(H2O) (2). Compound 2 shows a layer structure, in which {Co2O2} dimers are connected through the corner-sharing of {CoO5N} octahedra and {PO3C} tetrahedra, forming an inorganic double-layer. Introduction of a second ligand (1,4-bis(imidazol-1-ylmethyl)benzene, L (8)) in the reaction system, compound [Co(hppa)(L)0.5(H2O)]·H2O (3) was obtained. In this structure, Co2+ ions are bridged by O-P-O bridges into an inorganic layer and the layers are pillared up by 1,4-bis(imidazol-1-ylmethyl)benzene. Magnetic study suggests that the existence of weak ferromagnetic coupling between Co2+ ions in the {Co2O2} unit for 2. For compound 3, O-P-O bridges mediate very weak antiferromagnetic interactions.

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Isoxazole – Wikipedia,
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Product Details of 2402-95-1. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 2-Chloropyridine 1-oxide, is researched, Molecular C5H4ClNO, CAS is 2402-95-1, about Synthesis of 2-mercaptopyridine-1-oxide zinc salt and its crystal structure. Author is Liu, Rui; Liu, Shan; Zhu, Hongjun.

2-Chloropyridine-N-oxide was synthesized by treating 2-chloropyridine with hydrogen peroxide in glacial acetic acid. The final product 2-mercaptopyridine-1-oxide zinc salt was obtained from 2-chloropyridine-N-oxide via reaction with NaSH, preparation of the sodium salt and chelation with ZnSO4. The structure of the product was characterized by m.p., 1HNMR and single crystal diffractometer. The crystal belonged to monoclinic space group of P21/C with a = 0.84010(17) nm, b = 1.0184(2) nm, c = 1.3736(3) nm, α = 90.00°, β = 97.23(3)°, γ = 90.00°, Dx = 1.810 g/cm3, Z = 4, F(000) = 640, μ = 2.453 mm-1, and the final deviation factor R = (0.0325) and wR = (0.0728).

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Isoxazole – Wikipedia,
Isoxazole | C3H3NO – PubChem

Recommanded Product: 2402-95-1. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: 2-Chloropyridine 1-oxide, is researched, Molecular C5H4ClNO, CAS is 2402-95-1, about Study on synthesis of 2-chloropyridine-4-amine. Author is Zhu, Kongjie; Li, Xiuqin; Zhuang, Wenming.

2-chloropyridine-4-amine is an important intermediate of synthesizing many fine chem. products. It was synthesized from 2-chloropyridine via oxidation with H2O2 , nitration and reduction of iron powder, the structure was confirmed by 1HNMR. The affecting factors including the ratio of the raw materials , the reaction time and the temperature were investigated. Synthesis method is simple and the overall yield was 74.4% with a purity of 98. 28%.

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Isoxazole – Wikipedia,
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Computed Properties of C5H4ClNO. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 2-Chloropyridine 1-oxide, is researched, Molecular C5H4ClNO, CAS is 2402-95-1, about Alkyl transfer with retention and inversion of configuration: reexamination of a putative [1s,4s] sigmatropic rearrangement. Author is Wolfe, Saul; Yang, Kiyull; Weinberg, Noham; Shi, Zheng; Hsieh, Yih-Huang; Sharma, Rajendra Dev; Ro, Stephen; Kim, Chan-Kyung.

The thermal rearrangement of 2-alkoxypyridine-1-oxides to 1-alkoxy-2-pyridones, which has been reported to proceed by an intramol. [1s,4s] sigmatropic migration of the alkyl group with retention of configuration and first-order kinetics, has been reexamined The intramol. barriers have been computed to be at least 20 kcal mol-1 higher than the reported exptl. barriers. An alternative bimol. mechanism, discovered computationally, has been confirmed by a variety of experiments including crossover studies, determination of solvent effects and secondary H/D isotope effects, and new kinetic and stereochem. studies. In the new mechanism there is an initial intermol. transfer of the alkyl group, with inversion of configuration, to the N-oxide. Depending on the nature of the alkyl group and the solvent, this is followed by a second transfer, also with inversion of configuration, of one of the alkyl groups of the cationic intermediate to one of the oxygens of the anionic intermediate. The product is then formed either without crossover, by a double inversion of one alkyl group, or with crossover by two single inversions of different alkyl groups. The proposed intermediates of this mechanism can be synthesized; they react to form a 1-alkoxy-2-pyridone at room temperature

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Isoxazole – Wikipedia,
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The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: 2-Chloropyridine 1-oxide( cas:2402-95-1 ) is researched.Related Products of 2402-95-1.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:2402-95-1 ) 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:2402-95-1).

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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Isoxazole – Wikipedia,
Isoxazole | C3H3NO – PubChem