Tag: M.W:100-200

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.Bian, Qing-Hua; Li, Zai-Feng; Qiao, Zhen; Li, Chang-Rong; Xing, Yu-Fen; Wang, Min researched the compound: 2-Chloropyridine 1-oxide( cas:2402-95-1 ).Application In Synthesis of 2-Chloropyridine 1-oxide.They published the article 《Synthesis of 1-(2-chloro-4-pyridyl)-3-phenylurea》 about this compound( cas:2402-95-1 ) in Yingyong Huaxue. Keywords: chloropyridylphenylurea preparation. We’ll tell you more about this compound (cas:2402-95-1).

The title compound was prepared in 93.3% yield by reaction of Ph isocyanate with 4-amino-2-chloropyridine. The latter was obtained by nitration, reduction of 2-chloropyridine-N-oxide. The best conditions of the reaction were given.

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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.Recommanded Product: 2-Chloropyridine 1-oxide.Scott, Paul T.; Kauffman, Jim W.; Rogers, J. W.; Williams, R. J. published the article 《Stability constants of stannous chloride-pyridine N-oxide complexes in acetonitrile》 about this compound( cas:2402-95-1 ) in Journal of Inorganic and Nuclear Chemistry. Keywords: stability tin complex pyridine oxide; IR pyridine oxide tin complex; chloropyridine oxide tin complex stability; picoline oxide tin complex stability; substituent effect stability tin complex. Let’s learn more about this compound (cas:2402-95-1).

Stability constants were determined for 8 Me- and Cl-substituted pyridine N-oxide adducts of SnCl2 in MeCN solution The complexes had a 1:1 stoichiometry in the concentration ranges studied. An IR spectrophotometric method was used to determine concentrations of the equilibrium species from the N-O stretching band of the free ligand from mass balance relations. The equilibrium concentrations were such that the N-O stretching bond of the complexed ligand also appeared in most of the spectra shifted to lower frequencies by 50-75 cm-1. The stability constants of the complexes were rationalized in terms of electronic and steric effects of the substituents on the pyridine N-oxide ring.

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Isoxazole – Wikipedia,
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Gan, Liangbing; Jiang, Jianfeng; Zhang, Wen; Su, Yang; Shi, Yaru; Huang, Chunhui; Pan, Jinqi; Lue, Mujian; Wu, Yi published an article about the compound: 1-Piperidineacetic Acid( cas:3235-67-4,SMILESS:OC(=O)CN1CCCCC1 ).Synthetic Route of C7H13NO2. 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:3235-67-4) through the article.

Aminopolycarboxylic esters react with C60 under photolysis to produce fullerene multicarboxylates. Irradiation of tetra-Me ethylenediaminetetraacetate (EDTA) with C60 yields the EDTA-containing fullerene monoadduct C60(MeOOCCH)2NCH2CH2N(CH2COOMe)2. In addition, several other C60 monoadducts are also isolated and characterized, including compounds due to EDTA fragmentation. Similar results are observed with pentamethyl dimethylenetriaminepentaacetate (DTPA). When partially methylated nitrilotriacetic acid is irradiated with C60, decarboxylation occurs and organodihydrofullerene derivatives such as C60(H)[CH2N(CH2COOMe)2] are formed. Radical mechanisms are proposed for both types of photoreactions. The fullerene derivatives are characterized by their spectroscopic data. Photoreactions of C60 with other analogous mols. also support the conclusions.

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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-]).Quality Control of 3,5-Dimethyl-4-nitropyridine 1-oxide. 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°.

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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 Systematic coordination chemistry and cytotoxicity of copper(II) complexes with methyl substituted 4-nitropyridine N-oxides, published in 2011-08-31, which mentions a compound: 14248-66-9, mainly applied to preparation copper methylnitropyridine oxide; crystal structure copper methylnitropyridine oxide; antitumor activity copper methylnitropyridine oxide, Application In Synthesis of 3,5-Dimethyl-4-nitropyridine 1-oxide.

Three new nitrato Cu(II) complexes of di-Me substituted 4-nitropyridine N-oxide were synthesized and characterized by elemental anal., magnetic, spectroscopic, thermal and x-ray methods, resp. They were isolated as trans isomers, mononuclear (μ = 1.70-1.88 μB), five-(1-2) and four-(3) coordinate species [Cu(NO3)2(H2O)L2] where L = 2,3-dimethyl- or 2,5-dimethyl-4-nitropyridine N-oxide and [Cu(NO3)2L2], L = 3,5-dimethyl-4-nitropyridine N-oxide, resp. The x-ray crystal structure of (1) (L = 2,3-dimethyl-4-nitropyridine N-oxide) was determined The organic ligands, the complexes and copper hexaqua ion as a reference were tested in vitro on the cytotoxic activity against human cancer cell lines: MCF-7 (breast), SW-707 (colon) and P-388 (murine leukemia). The complexes are relatively strong cytotoxic agents towards P-388 cell line. Comparative anal. was performed for all known Cu(II) complexes containing Me derivatives of the 4-nitropyridine N-oxide from their composition, structure and cytotoxic activities. To obtain the typical structure for these species (i.e., 4-coordinate mononuclear trans-[Cu(inorganic anion)2L2]), two Me groups must be situated on both sides of N atom(s) (i.e., NO and NO2) in the ligand. The biol. activity is strongly dependent upon the number of the Me groups and the type of cell line. The best cytotoxic results were found for the complexes without substituents or with one Me group. Generally, for all cell lines, the complexation increased cytotoxicity when compared with the free ligands.

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Heterocyclic compounds can be divided into two categories: alicyclic heterocycles and aromatic heterocycles. Compounds whose heterocycles in the molecular skeleton cannot reflect aromaticity are called alicyclic heterocyclic compounds. Compound: 3235-67-4, is researched, Molecular C7H13NO2, about On the cleavage of N-C linkage of piperidine N-derivatives by mouse and rat liver enzyme system, the main research direction is piperidine derivative liver enzyme.Related Products of 3235-67-4.

The cleavage of the N-C bond of piperidine derivatives by the 9000 × g supernatant of rat liver was more readily carried out than that by the supernatant of mouse liver. The cleavage of N-Et derivatives such as N-methylpiperidine (I) [626-67-5] and N-ethylpiperidine [766-09-6] was not readily carried out by these supernatants, whereas that of the Mannich bases was done readily. The addition of phenobarbital accelerated N-C bond cleavage, but 3-methylcholanthrene was without effect. Pretreatment of the animals with SKF-525A inhibited the cleavage.

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Isoxazole – Wikipedia,
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Synthetic Route of C7H13NO2. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 1-Piperidineacetic Acid, is researched, Molecular C7H13NO2, CAS is 3235-67-4, about Aqueous basicity and proton affinity of zwitterionic ω-(N-methylpiperidine)-alkanocarboxylates and ω-(N-piperidine)-alkanocarboxylic acids. Author is Barczynski, P.; Dega-Szafran, Z.; Dulewicz, E.; Petryna, M.; Szafran, M..

The pKa values of 5 [cyclo-(CH2)5N+]Me(CH2)nCO2- (N-methylpiperidinium betaines) and 5 [cyclo-(CH2)5N](CH2)nCO2H were determined by potentiometric titration of their hydrohalides with KOH. Semiempirical geometry optimizations were performed for gaseous betaines. Four conformers were characterized and their PA values estimated The PA values fulfilled the linear correlation with the aqueous pKa values estimated by P. Barczynski et al. (1998). A linear correlation between the calculated heat of formation (ΔHf) and the sum of the N…O1 and N…O2 distances, for the conformers containing the same number of CH2 groups, indicates that they are stabilized by the intramol. electrostatic interactions between the pos. charged nitrogen atom and oxygen atoms of the carboxylate group.

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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.Reference of 2-Chloropyridine 1-oxide.Ding, Yong; Zhao, Wei; Song, Wenfeng; Zhang, Zhenxin; Ma, Baochun published the article 《Mild and recyclable catalytic oxidation of pyridines to N-oxides with H2O2 in water mediated by a vanadium-substituted polyoxometalate》 about this compound( cas:2402-95-1 ) in Green Chemistry. Keywords: vanadium polyoxometalate pyridine oxidation catalyst. Let’s learn more about this compound (cas:2402-95-1).

A vanadium-substituted polyoxometalate, K6[PW9V3O40]·4H2O, was used as a recyclable and effective catalyst for the oxidation of pyridines. The reactions were successfully conducted in water under mild conditions. The catalyst could be easily recovered and reused.

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Name: 3,5-Dimethyl-4-nitropyridine 1-oxide. 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 Studies on chemical carcinogens. XV. Carcinogenicity and mutagenicity of 4-nitropyridine 1-oxide derivatives. Author is Takahashi, Kazuhiko; Huang, Guang-Fu; Araki, Misako; Kawazoe, Yutaka.

The carcinogenicity and mutagenicity of 4-nitropyridine 1-oxide (I) [1124-33-0] and 7 of its alkyl derivatives were tested on mice and on Salmonella typhimurium strains and Escherichia coli strains. 3-Methyl compound [1074-98-2] was the most potent carcinogen, followed by 3-ethyl [35363-12-3] and then I. The mutagenicity was the most potent in 3-methyl derivative, 2,3-dimethyl [37699-43-7], and 2,5-Dimethyl [21816-42-2], moderate in I,and 2-Methyl [5470-66-6] and 2,6-dimethyl [4808-64-4], and to a least extent in 3,5-dimethyl [14248-66-9] derivative of I. Structure-mutagenicity relation was discussed on the basis of the mol. mechanism of the carcinogenesis of I. Quant. relation between mutagenicity and carcinogenicity was not strictly found among the compounds examined

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Isoxazole – Wikipedia,
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Formula: C7H8N2O3. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 3,5-Dimethyl-4-nitropyridine 1-oxide, is researched, Molecular C7H8N2O3, CAS is 14248-66-9, about Syntheses of sterically hindered zwitterionic pyridinium phenolates as model compounds in nonlinear optics. Part 2.. Author is Diemer, Vincent; Chaumeil, Helene; Defoin, Albert; Fort, Alain; Boeglin, Alex; Carre, Christiane.

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.

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Reference:
Isoxazole – Wikipedia,
Isoxazole | C3H3NO – PubChem