Day: April 1, 2022

Reference of 6-Hydroxy-2-methylpyrimidin-4(3H)-one. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 6-Hydroxy-2-methylpyrimidin-4(3H)-one, is researched, Molecular C5H6N2O2, CAS is 1194-22-5, about Spectroscopic Study of the Basicity of 4,6-Dihydroxypyrimidine Derivatives. Author is Vu, Tuan Q.; Yudin, Nikolai V.; Kushtaev, Alexander A.; Nguyen, Thanh X.; Maltsev, Sergey A..

The protonation of a number of 4,6-dihydroxypyrimidine derivatives is studied, and the features of the electronic spectra of free bases and protonated forms are considered. It is shown that the alkyl substituents in position 2 increase the basicity of the compound, and the nitro group in position 5 leads to its decrease. In an acid medium (0.1-99.5% H2SO4), 4,6-dihydroxypyrimidine, 6-hydroxy-2-methylpyrimidine-4(3H)-one, and 6-hydroxy-2-ethylpyrimidine-4(3H)-one have two protonation stages, barbituric acid is protonated in three stages, and 6-hydroxy-2-methyl-5-nitropyrimidine-4(3H)-one and 6-hydroxy-2-ethyl-5-nitropyrimidine-4(3H)-one form a monocation.

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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: 6-Hydroxy-2-methylpyrimidin-4(3H)-one( cas:1194-22-5 ) is researched.Quality Control of 6-Hydroxy-2-methylpyrimidin-4(3H)-one.Chen, Hanping; Lin, Guiying; Chen, Yingquan; Chen, Wei; Yang, Haiping published the article 《Biomass Pyrolytic Polygeneration of Tobacco Waste: Product Characteristics and Nitrogen Transformation》 about this compound( cas:1194-22-5 ) in Energy & Fuels. Keywords: biomass pyrolysis polygeneration tobacco waste nitrogen transformation. Let’s learn more about this compound (cas:1194-22-5).

Conversion of waste to high-value products by pyrolysis is a suitable and harmless disposal technol. for the abundant waste generated in the tobacco industry. To determine the optimum operational parameters for biomass pyrolytic polygeneration using tobacco waste as the feedstock, the product characteristics and N transformation were studied from 250 to 950°. The highest low calorific values of gas and char were 13 MJ/m3 at 750° and 15 MJ/kg at 450°, resp. The optimum operating temperature recommended for biomass pyrolytic polygeneration of tobacco waste is 650° when the 3 products (char, oil, and gas) are balanced. The char formation process is divided into 3 stages: degradation (250-450°), reforming (450-650°), and condensation (>650°). Three types of N-containing structures are formed in chars: pyridinic N, pyrrolic/pyridine N, and quaternary N. Pyridinic N is dominant at low temperatures, whereas quaternary N becomes dominant at high temperatures N-containing volatiles escape from chars with increasing temperature and are primarily found in oil <550° and in gas >650°. N-containing compounds are the major components (up to 45%) in the organic portion of oil, with pyridines, pyrroles, and piperidines as the dominant forms. In the gas product, NH3 and HCN are the major N-containing compounds released >650°. This study is expected to be beneficial for the comprehensive use of tobacco waste.

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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: 2,6-Dichloropurine, is researched, Molecular C5H2Cl2N4, CAS is 5451-40-1, about Cross dehydrogenation coupling reaction of purine derivatives with thioethers, the main research direction is purine thioether cross dehydrogenation coupling reaction; benzimidazole regioselective preparation.Computed Properties of C5H2Cl2N4.

A metal-free cross-dehydrogenation coupling method was established to synthesize N9 alkylated purine derivatives Using PhI(OAc)2 as the oxidant, versatile thioethers were successfully employed as alkylation reagents. Under the optimized conditions, a variety of alkylated purine derivatives and other aromatic N-heterocycles were obtained in moderate to good yields. The regioselectivity of this protocol which involves the reaction of unsym. thioethers with purine derivatives was also studied.

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Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

Application of 288-42-6. The reaction of aromatic heterocyclic molecules with protons is called protonation. Aromatic heterocycles are more basic than benzene due to the participation of heteroatoms. Compound: Oxazole, is researched, Molecular C3H3NO, CAS is 288-42-6, about Weak bases, an efficient accelerator for the RAFT of isoprene. Author is Xiang, Yixin; Zhao, Haibing; Shen, Xianrong; Gao, Jiangang; Asiri, Abdullah M.; Marwani, Hadi M..

The use of weak bases as accelerators for reversible addition-fragmentation chain transfer radical polymerization (RAFT) of isoprene is demonstrated. Adding weak bases to RAFT polymerization, the conversion of isoprene could be greatly improved and reach about 50%. The effects of weak base on the polymerization were investigated. The living and controlled character of the RAFT polymerization of isoprene was confirmed by the linear increase in mol. weight with monomer conversion, the narrow mol. weight distribution and synthesis of polyisoprene-block-polystyrene (PIP-b-PS) block copolymer. The results of 1HNMR spectroscopy show that the structure of polyisoprene (PIP) with weak bases as accelerators was the same to the structure of PIP without any accelerator. The data presented here prove that weak bases are an efficient accelerator to inhibit Diels-Alder reaction of isoprene in the RAFT polymerization

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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

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: 1194-22-5, is researched, Molecular C5H6N2O2, about Methyl 2-(benzoylamino)-3-(dimethylamino)propenoate in the synthesis of fused pyranones. The synthesis of derivatives of tetrahydro-2H-1-benzopyran-2-one, isomeric 2H-naphtho[1,2-b]pyran-2-one and 3H-naphtho[2,1-b]pyran-3-one, pyrano[3,2-c]benzopyran-2,5-dione, and 7H-pyrano[2,3-d]pyrimidin-7-one, the main research direction is benzoylaminodimethylaminopropenoate cyclocondensation diketone; pyranone fused; benzopyranone tetrahydro; naphthopyranone; pyranobenzopyrandione; pyranopyrimidinone.Electric Literature of C5H6N2O2.

Me 2-benzoylamino-3-dimethylaminopropenoate (I) reacts with carbocyclic and heterocyclic 1,3-diketones or potential 1,3-diketones, such as 1,3-cyclohexanediones, and 4-hydroxy-2H-1-benzopyran-2-one derivatives, in acetic acid to afford the corresponding 3-benzoylamino substituted 5-oxo-5,6,7,8-tetrahydro-2H-benzopyran-2-ones, and 2H,5H-pyrano[3,2-c][1]benzopyran-2,5-dione derivatives. 1-Naphthol and 2-naphthol produce the isomeric 2H-naphtho[1,2-b]pyran-2-one and 3H-naphtho[2,1-b]pyran-3-one derivatives, resp. Et cyclopentanone-2-carboxylate and Et cyclohexanone-2-carboxylate do not react under these conditions, while in polyphosphoric acid the cyclization of the reagent I is taking place to give 4-dimethylaminomethylene-2-phenyl-5(4H)-oxazolone. 4,6-Dihydroxypyrimidine derivative I affords in acetic acid the noncyclized intermediate II, which can be further transformed in polyphosphoric acid into 7H-pyrano[2,3-d]pyrimidin-7-one derivative III.

From this literature《Methyl 2-(benzoylamino)-3-(dimethylamino)propenoate in the synthesis of fused pyranones. The synthesis of derivatives of tetrahydro-2H-1-benzopyran-2-one, isomeric 2H-naphtho[1,2-b]pyran-2-one and 3H-naphtho[2,1-b]pyran-3-one, pyrano[3,2-c]benzopyran-2,5-dione, and 7H-pyrano[2,3-d]pyrimidin-7-one》,we know some information about this compound(1194-22-5)Electric Literature of C5H6N2O2, but this is not all information, there are many literatures related to this compound(1194-22-5).

Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

HPLC of Formula: 67914-60-7. The reaction of aromatic heterocyclic molecules with protons is called protonation. Aromatic heterocycles are more basic than benzene due to the participation of heteroatoms. Compound: 1-(4-(4-Hydroxyphenyl)piperazin-1-yl)ethanone, is researched, Molecular C12H16N2O2, CAS is 67914-60-7, about Pd-catalyzed aminations of aryltriazolones: effective synthesis of hydroxyitraconazole enantiomers. Author is Tanoury, Gerald J.; Senanayake, Chris H.; Hett, Robert; Kuhn, Amy M.; Kessler, Donald W.; Wald, Stephen A..

A palladium-catalyzed amination of triazolone I by piperazine II was used as the key step in an efficient synthesis of highly enantiomerically pure hydroxyitraconazole (III). II (>99% ee) was prepared by reaction of an achiral phenol precursor with the corresponding dioxolyl tosylate (>99% ee).

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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

Most of the natural products isolated at present are heterocyclic compounds, so heterocyclic compounds occupy an important position in the research of organic chemistry. A compound: 5451-40-1, is researched, SMILESS is C2=NC1=C(C(=NC(=N1)Cl)Cl)[NH]2, Molecular C5H2Cl2N4Journal, Article, Research Support, Non-U.S. Gov’t, Bioorganic Chemistry called 6-Substituted purines as ROCK inhibitors with anti-metastatic activity, Author is Voller, Jiri; Zahajska, Lenka; Plihalova, Lucie; Jerabkova, Jana; Burget, David; Pataki, Andreea Csilla; Krystof, Vladimir; Zatloukal, Marek; Brabek, Jan; Rosel, Daniel; Mik, Vaclav; Tkac, Martin; Pospisil, Tomas; Gucky, Tomas; Dolezal, Karel; Strnad, Miroslav, the main research direction is melanoma antitumor antimetastasis purine ROCK2; Anti-metastatic activity; Melanoma; Protein kinase inhibitor; ROCK.Safety of 2,6-Dichloropurine.

Rho-associated serine/threonine kinases (ROCKs) are principal regulators of the actin cytoskeleton that regulate the contractility, shape, motility, and invasion of cells. We explored the relationships between structure and anti-ROCK2 activity in a group of purine derivatives substituted at the C6 atom by piperidin-1-yl or azepan-1-yl groups. Structure-activity relationship (SAR) analyses suggested that anti-ROCK activity is retained, and may be further increased, by substitution of the parent compounds at the C2 atom or by expansion of the C6 side chain. These inhibitors of ROCK can reach effective concentrations within cells, as demonstrated by a decrease in phosphorylation of the ROCK target MLC, and by inhibition of the ROCK-dependent invasion of melanoma cells in the collagen matrix. Our study may be useful for further optimization of C6-substituted purine inhibitors of ROCKs and of other sensitive kinases identified by the screening of a broad panel of protein kinases.

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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

Related Products of 1194-22-5. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 6-Hydroxy-2-methylpyrimidin-4(3H)-one, is researched, Molecular C5H6N2O2, CAS is 1194-22-5, about Novel dinitromethyl-featured polynitro energetic salts. Author is Li, Ying; Huang, Haifeng; Lin, Xiangyang; Pan, Renming; Yang, Jun.

A unique and facile method was developed to synthesize a new class of energetic salts based on 2-amino-1,1,5,5-tetranitro-4-oxo-3-aza-pentene. All the salts were fully characterized by NMR (1H and 13C), IR spectroscopy and elemental anal. Furthermore, the crystal structure of the guanidinium salt was determined by single-crystal X-ray diffraction. The differential scanning calorimetry (DSC) results showed that the decomposition temperatures of these salts were between 126.2 °C and 148.8 °C. The densities of these salts lie in the range of 1.745 to 1.880 g cm-3. Their impact sensitivities and friction sensitivities were measured to be in the range of 1-16 J and 48-84 N, resp. All the salts exhibited promising detonation performances (detonation pressure: 28.6 to 34.3 GPa; detonation velocity: 8037 to 8674 m s-1), and the detonation performances of one of the salts were comparable to those of RDX.

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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

Hamedani, Naghmeh Faal; Azad, Leila; Shafiee, Shahin; Noushin, Annataj published an article about the compound: Ethyl 3-bromo-2-oxopropanoate( cas:70-23-5,SMILESS:O=C(OCC)C(CBr)=O ).Name: Ethyl 3-bromo-2-oxopropanoate. 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:70-23-5) through the article.

The multicomponent reaction of aldehydes, benzoylisothiocyanate and alkyl bromides in the presence of ammonium acetate, sodium cyanide and a catalytic amount of KF/Clinoptilolite nanoparticles (KF/CP NPs) in the water at 100°C was investigated. In these reactions, thiazole I [R= H, Me, i-Pr; R1 = ethoxycarbonyl, 4-methoxyphenyl, 4-bromophenyl] were produced in good to excellent yields and short time. Also, the antioxidant activity was studied for some newly synthesized compounds using the DPPH radical trapping and reducing of ferric ion experiments and compared the results with synthetic antioxidants (TBHQ and BHT). As a result, the compounds I [R= i-Pr; R1 = ethoxycarbonyl] showed excellent DPPH radical trapping and reducing the strength of ferric ion. These compounds I [R= H, Me, i-Pr; R1 = ethoxycarbonyl, 4-methoxyphenyl, 4-bromophenyl] have biol. potential because of the thiazole core. For this reason, the antimicrobial activity of some synthesized compounds I [R= H, Me, i-Pr; R1 = ethoxycarbonyl, 4-methoxyphenyl, 4-bromophenyl] was studied by employing the disk diffusion test on Gram-pos. bacteria and Gram-neg. bacteria. The results of the disk diffusion test showed that these compounds I [R= H, Me, i-Pr; R1 = ethoxycarbonyl, 4-methoxyphenyl, 4-bromophenyl] prevented bacterial growth.

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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

Priyadharsini, R.; Dharuman, A.; Nithya, P.; Shalini, P.; Sumithra, G. published an article about the compound: Oxazole( cas:288-42-6,SMILESS:O1C=NC=C1 ).Product Details of 288-42-6. 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:288-42-6) through the article.

Epilepsy is a chronic disorder that causes unprovoked, recurrent seizures like a sudden rush of elec. activity in the brain. Neuronal hyperexcitability in epilepsy is due to an imbalance between glutamate-mediated excitation and GABA-mediated inhibition. This prompted us to design newer CSF1R inhibitors as efficient therapeutic drugs for the treatment of epilepsy. Based on the common pharmacophoric features for the inhibition of CSF1R inhibitors, a series of leads were designed using computational methods. A virtual library consisting of newly designed 60 mols. as CSF1R inhibitors were constructed .Based on these facts, a virtual library has been generated with 60 newly designed ligands containing imidazole, benzo pyrrole, quinoline, oaxzole, quinoxaline, benzimidazole, heterocyclic nucleus as CSF1R inhibitors (60). The binding mechanism of newly designed ligands with target enzymes CSF1R inhibitors was studied using Auto dock tools 1.5.6. The designed compounds were subjected and filtered by applying ADMET properties. In comparison with docking scores of standard antiepileptic drugs vigabatrin (GABA-2.14, CSF1R-1, 31) and sodium valproate (GABA-3.19, CSF1R-3.6) and the newly designed ligands, CS1 (-6.61), CS3 (-6.22), CS14 (-6.04) were found to be highly active hits than that of standards

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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem