Day: April 18, 2022

Application of 148-51-6. 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. Compound: 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride, is researched, Molecular C8H12ClNO2, CAS is 148-51-6, about Anticoccidial agents. 1. Synthesis and anticoccidial activity of 4-deoxypyridoxol and its esters.

A series of 21 title compounds were prepared from 3,α4-O-diacetylpyridoxol-HCl [53580-90-8] by hydrogenolysis, followed by hydrolysis and ester formation. In 14 day white Leghorn chicks, moderate activity against Eimeria acervulina was observed for 4-deoxypyridoxol-HCl (I-HCl) [148-51-6], and its diacetate ester-HCl (II-HCl) [53580-95-3], dibutyrate ester-HCl (III-HCl) [53580-96-4], and dihexanoate ester-HCl (IV) [53580-97-5]. The relation of anticoccidial activity to structure and to antivitamin B6 activity was discussed.

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Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: 5-Methylfuran-2(3H)-one, is researched, Molecular C5H6O2, CAS is 591-12-8, about Inverse-Electron-Demand Palladium-Catalyzed Asymmetric [4+2] Cycloadditions Enabled by Chiral P,S-Ligand and Hydrogen Bonding, the main research direction is enantioselective diastereoselective inverse electron demand palladium catalyzed cycloaddition; chiral phosphorus sulfur ligand palladium catalyzed asym cycloaddition; hydrogen bonding palladium catalyzed asym cycloaddition; P,S ligand; cycloaddition; heterocycles; hydrogen bonding; palladium.Related Products of 591-12-8.

Catalytic asym. cycloadditions of ambident Pd-containing dipolar species with nucleophilic dipolarophiles, namely, inverse-electron-demand cycloadditions, are challenging and underdeveloped. Possibly, the inherent linear selectivity of Pd-catalyzed intermol. allylations and the lack of efficient chiral ligands are responsible for this limitation. Herein, two cycloadditions of such intermediates with deconjugated butenolides and azlactones were accomplished by using a novel chiral hybrid P,S-ligand and hydrogen bonding [e.g., vinyl carbamate I + butenolide II → dihydroquinol-2-one III (92%, 93% ee, >95:5 d.r.)]. By doing so, highly functionalized, optically active dihydroquinol-2-ones were produced with generally high reaction efficiencies and selectivities. Preliminary DFT calculations were performed to explain the high enantio- and diastereoselectivities.

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Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Quality Control of 5-Methylfuran-2(3H)-one. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: 5-Methylfuran-2(3H)-one, is researched, Molecular C5H6O2, CAS is 591-12-8, about A Predictive Strategy Based on Volatile Profile and Chemometric Analysis for Traceability and Authenticity of Sugarcane Honey on the Global Market. Author is Silva, Pedro; Freitas, Jorge; Nunes, Fernando M.; Camara, Jose S..

Sugarcane honey (SCH) is a syrup produced on Madeira Island and recognized by its unique aroma, a complex attribute of quality with an important influence on the final consumer’s acceptance of the product, and determined by a complex mixture of a large number of volatile organic compounds (VOCs) generated during its traditional making process and storage. Therefore, the purpose of this study was to establish the volatile profile of genuine SCH produced by a regional certified producer for seven years and compare it with syrups from non-certified regional producers and with producers from different geog. regions (Spain, Egypt, Brazil and Australia), as a powerful strategy to define the volat. fingerprint of SCH. Different volatile profiles were recognized for all samples, with 166 VOCs being identified belonging to different chem. classes, including furans, ketones, carboxylic acids, aldehydes and alcs. Chemometric anal. allowed (i) the differentiation between all syrups, being more pronounced between SCH and other syrups; and (ii) the identification of 32 VOCs as potential markers for the traceability and authenticity of SCH on the global market.

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Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Chaudhary, Chhabi Lal; Chaudhary, Prakash; Dahal, Sadan; Bae, Dawon; Nam, Tae-gyu; Kim, Jung-Ae; Jeong, Byeong-Seon published an article about the compound: 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride( cas:148-51-6,SMILESS:OC1=C(C)C(CO)=CN=C1C.[H]Cl ).Electric Literature of C8H12ClNO2. 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:148-51-6) through the article.

6-Aminopyridin-3-ol scaffold has shown an excellent anti-inflammatory bowel disease activity. Various analogs with the scaffold were synthesized in pursuit of the diversity of side chains tethering on the C(6)-position. SAR among the analogs was investigated to understand the effects of the side chains and their linkers on their anti-inflammatory activities. In this study, structural modification moved beyond side chains on the C(6)-position and reached to pyridine ring itself. It expedited to synthesize diverse ring-modified analogs of a representative pyridine-3-ol, 6-acetamido-2,4,5-trimethylpyridin-3-ol. In the evaluation of compounds on their inhibitory actions against TNF-α-induced adhesion of monocytic cells to colonic epithelial cells, an in vitro model mimicking colon inflammation, the effects of compounds I , II, and III were greater than tofacitinib, an orally available anti-colitis drug, and compound dehydroxylated analog II exhibit the greatest activity. In addition, TNF-α-induced angiogenesis, which permits more inflammatory cell migration into inflamed tissues, was significantly blocked by compounds I and II in a concentration-dependent manner. In the comparison of in vivo therapeutic effects of compounds I , II, and III on dextran sulfate sodium (DSS)-induced colitis in mice, compound dehydroxylated analog II was the most potent and efficacious, and compound demethylated analog III was better than compound I which exhibited a similar degree of inhibitory effect to tofacitinib.

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Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Recommanded Product: 591-12-8. 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. Compound: 5-Methylfuran-2(3H)-one, is researched, Molecular C5H6O2, CAS is 591-12-8, about Thermal and Volumetric Properties of Five Lactones at Infinite Dilution in Water.

Mixing enthalpies and densities of highly dilute aqueous solutions of five lactones (namely γ-butyrolactone (GBL), γ-valerolactone (GVL), α-angelica lactone (AAL), γ-hexalactone (GHL), and δ-hexalactone (DHL)) were measured as a function of solution composition at several temperatures in the range from (288.15 to 318.15) K using a tandem flow arrangement of isothermal mixing microcalorimeter and vibrating-tube densimeter. The densities of the neat lactones were measured, also. The dissolution of the lactones in water was exothermic (except for AAL at higher temperatures) and accompanied by volume contraction. On the basis of these systematic measurements, reliable values of partial molar excess enthalpy, partial molar volume, and partial molar excess volume of the studied solutes at infinite dilution in water were determined Precision of our measurements allowed us to evaluate with a good accuracy also resp. temperature derivative properties, i.e., infinite dilution partial molar excess heat capacity, expansion, and excess expansion. The observed thermodn. behavior was governed by hydrogen bonding of water mols. to the oxygen atoms of the lactone group. Several structural effects like those of the alkylation of lactone ring, its enlargement, the introduction of the double bond, and the lactone mol. volume on the determined properties were identified and rationalized on the mol. level.

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Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Application In Synthesis of 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride, is researched, Molecular C8H12ClNO2, CAS is 148-51-6, about Transmitter synthesis and convulsant drugs: effects of pyridoxal phosphate antagonists and allylglycine. Author is Sawaya, Christina; Horton, Roger; Meldrum, Brian.

Glutamic acid decarboxylase (EC 4.1.1.15) (I) [9024-58-2] and dopa decarboxylase (EC 4.1.1.26) (II) [9042-64-2] in mouse brain homogenates were inhibited after administration of methyldithiocarbazinate [5397-03-5] (45 mg/kg, i.p.), thiosemicarbazide [79-19-6] (100 mg/kg, i.p.), or 4-deoxypyridoxine-HCl (III) [148-51-6] (250 mg/kg, i.p.); addition of pyridoxal phosphate [54-47-7] abolished the inhibition. I activity was inhibited by allylglycine (IV) [3182-77-2] in vivo (200 mg/kg, i.p.) and in vitro whereas II activity was unaffected. III (250 mg/kg, i.p.) decreased brain GABA [56-12-2] levels, increased homovanillic acid [306-08-1] and 5-hydroxyindoleacetic acid [54-16-0] levels, and did not alter dopamine [51-61-6] and serotonin [50-67-9] levels. Brain GABA levels were decreased by IV while monoamine and monoamine metabolite levels were unchanged. Inhibition of II activity is not the primary or critical mechanism in the convulsant action of hydrazides and IV.

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Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Synthetic Route of C5H6O2. 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. Compound: 5-Methylfuran-2(3H)-one, is researched, Molecular C5H6O2, CAS is 591-12-8, about Understanding the Origin of Maleic Anhydride Selectivity during the Oxidative Scission of Levulinic Acid.

Biomass-derived levulinic acid (LA) is a green platform chem., and we have previously reported an oxidative scission pathway that selectively transforms it into maleic anhydride (MA). This reaction is curious because it requires oxidative scission of the terminal (methyl) carbon in levulinic acid, whereas gas-phase Me ketone oxidations are typically selective toward internal (alkyl) bond scission. In order to probe the origin of this disparity, we consider trends observed during the oxidative scission of ketones, keto acids, and keto acid analogs, and we highlight influences of steric hindrances, α-carbon substitution, and the presence of a secondary carboxylic acid functionality. We further consider the role of cyclic intermediates, namely Angelica lactones, in mediating selectivity during the oxidative scission of levulinic acid. Our kinetic anal. is supported by FTIR spectroscopy, which reveals the formation of hydrogen-deficient surface intermediates prior to the onset of oxidative scission. Finally, we pair short-contact-time selectivity anal. with GCMS and NMR spectroscopy to identify a previously undisclosed reaction intermediate-protoanemonin-that forms during the oxidative scission of levulinic acid and α-Angelica lactone. We conclude that facile oxidative dehydrogenation of β-Angelica lactone to form protoanemonin is the major driving force for the high selectivity toward Me scission during levulinic acid oxidation We also note that protoanemonin is an intriguing polyfunctional mol. that appears well-suited to bio-based production, and we have observed that it can be synthesized in yields from 55% to 75% (albeit at low concentration presently) during periods of transient reactor operation.

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Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Chemistry of vitamin B6. IX. Derivatives of 5-deoxypyridoxine》. Authors are Heyl, Dorothea; Harris, Stanton A.; Folkers, Karl.The article about the compound:5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloridecas:148-51-6,SMILESS:OC1=C(C)C(CO)=CN=C1C.[H]Cl).SDS of cas: 148-51-6. Through the article, more information about this compound (cas:148-51-6) is conveyed.

cf. C.A. 47, 8745g. The 5-deoxy derivatives (I) of pyridoxine (II), pyridoxal (III), and pyridoxamine (IV) were prepared and characterized. The I can participate normally in biochemical reactions involving the substituent at the 4-position but cannot be phosphorylated like II, III, and IV. As expected the I had no vitamin B6 activity but were effective antimetabolites. Codecarboxylase has been catalytically hydrogenated to 5-deoxypyridoxine (V); both II and III yielded under the same conditions a mixture of 4-deoxypyridoxine (VI) and V. The absorption spectra of 5-deoxypyridoxal (VII) (recorded) and pure pyridoxal-5-phosphate (codecarboxylase) (VIII) at pH 11.0 and 1.9, resp., are almost identical. The deep yellow color of both VII and VIII in alk. solution together with other absorption characteristics is ascribed to a quinoid structure. 2-Methyl-3-hydroxy-4-methoxymethyl-5-chloromethylpyridine (IX).HCl (2.38 g.) in 125 cc. MeOH was shaken with H in the presence of 2 g. 5% Pd-Darco, the mixture filtered, and the filtrate concentrated to 20 cc. to yield 1.5 g. (75%) 2,5-dimethyl-3-hydroxy-4-methoxymethylpyridine (X).HCl, m. 152-3° (from EtOH-Et2O). IX.HCl (23.7 g.) reduced similarly in 2 equal portions, each one in 600 cc. MeOH with 5 g. Pd catalyst yielded 19.0 g. (94%) X.HCl. X.HCl (1.47 g.) in 50 cc. 4N HCl heated 3 hrs. at 180-90° in a sealed tube, the colorless solution filtered, the filtrate concentrated to dryness, and the H2O removed azeotropically with EtOH and C6H6 yielded 0.96 g. (70%) V.HCl, m. 143-3.5° (from EtOH-Et2O); treated with excess NaHCO3 gave V, m. 181-2° (from EtOH). X.HCl was treated in H2O with NaHCO3, the mixture concentrated in vacuo and extracted with Et2O, the extract evaporated, 3.1 g. of the residual free base heated 18 hrs. with 50 cc. MeOH and 50 cc. liquid NH3 in a sealed tube, the mixture evaporated in vacuo to dryness, MeOH added and removed twice by distillation, and the residue extracted with Et2O to leave 1.86 g. (60%) 5-deoxypyridoxamine (XI); m. 160-1° (from MeOH); 2,5-dimethyl-3-p-toluenesulfonoxy-4-p-toluenesulfonylaminopyridine-HCl, m. 194-5° (from EtOH). A small sample of XI was heated 20 min. with Ac2O on a steam bath, the solution concentrated to dryness, the residue treated with EtOH, distilled to dryness, dissolved in HCl, treated with Darco, neutralized with NaHCO3, chilled, and the crystalline deposit recrystallized from C6H6 containing a few drops EtOH to give 2,5-dimethyl-3-acetoxy-4-acetylaminomethylpyridine, m. 174-5°. V.HCl (5.7 g.) was stirred 2 hrs. at 60-70° with 2.8 g. MnO2, 1.5 cc. H2SO4, and 75 cc. H2O, the mixture filtered, the filtrate concentrated in vacuo, the sirup taken up in 15 cc. H2O, excess solid AcONa added, and the thick, crystalline precipitate cooled, filtered off, and washed with ice water to give 1.30 g. (29%) VII, m. 108-9° (from petr. ether); the aqueous filtrate from VII gave with 2 g. NH2OH.HCl 0.9 g. (18%) oxime of VII, m. 239-40° (decomposition) (from EtOH). To the aqueous filtrate of a similar run were added 12 g. NaOAc and 4.5 g. NH2OH.HCl and the mixture was heated 10 min. on a steam bath to yield 2.43 g. (49%) oxime of VII. VII in CHCl3 treated with excess alc. HCl, the solution evaporated in vacuo to dryness, a little H2O added and removed in vacuo, and the residue treated with CHCl3 yielded VII.HCl, m. 191-3° (decomposition). VII (90 mg.) in 1 cc. H2O was cooled in ice, the pH adjusted to 11 with 6N NaOH, 4 drops 30% H2O2 added, the mixture adjusted to pH 3 with HCl and cooled, and the precipitate washed with H2O, EtOH, and Et2O to yield 70 mg. (85%) 2,5-dimethyl-3,4-dihydroxypyridine, decomposed 262-70°. Crude Ca codecarboxylase (0.5 g.) was suspended in H2O and treated with 0.7 cc. 6N HCl, the mixture filtered, the filtrate diluted to 50 cc. shaken 2.25 hrs. at atm. pressure with H and 0.5 g. 10% Pd-C, filtered and concentrated to dryness in vacuo, the residue dissolved in about 3 cc. H2O, the solution treated with excess solid NaHCO3, filtered, the filter residue washed with H2O, the combined filtrate and washings were concentrated in vacuo to 5 cc., the concentrate extracted 21 hrs. continuously with CHCl3, the extract evaporated, and the residue treated with alc. HCl and precipitated with Et2O to give 0.07 g. V.HCl, m. 140-1°. III.HCl (0.35 g.) was treated with 0.10 g. CaO and 0.17 g. H3PO4 and hydrogenated similarly to give 0.08 g. (24%) VI.HCl, m. 264-5°, and 0.11 g. (33%) V.HCl; the aqueous filtrate left from the CHCl3-extraction was concentrated to dryness, the residue extracted with EtOH, and the extract acidified with alc. HCl to give 0.11 g. (30%) I.HCl. Similar hydrogenation of 0.40 g. I.HCl in 0.3 cc. 6N HCl and 50 cc. H2O for 4-5 hrs. gave 0.16 g. (42%) VI.HCl and 0.09 g. (24%) V.HCl. Attempted similar hydrogenation of V gave only recovered starting material.

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Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

In general, if the atoms that make up the ring contain heteroatoms, such rings become heterocycles, and organic compounds containing heterocycles are called heterocyclic compounds. An article called Microwave-assisted catalytic upgrading of bio-based furfuryl alcohol to alkyl levulinate over commercial non-metal activated carbon, published in 2020-01-31, which mentions a compound: 591-12-8, Name is 5-Methylfuran-2(3H)-one, Molecular C5H6O2, Computed Properties of C5H6O2.

A cheap and com. available non-metal activated carbon (AC) as an efficient catalyst for the alcoholysis of furfuryl alc. (FA) to alkyl levulinate (AL) under microwave assistance was firstly investigated. The catalyst gave an impressive Me levulinate (ML) yield of 78% in only 5 min at 170 °C in the presence of FA (0.2 M, 3 mL) and AC (100 mg). Various reaction parameters in dependence of time such as temperature, catalyst and feedstock loadings as well as solvent types have been optimized. The re-utilization experiments of the catalyst showed that the activity related to the acidic groups of the catalysts, and the deactivation was due to the leaching of acidic specie, which was easily extracted by the solvent. Note that extremely low concentration of the active species extracted from AC (less than 1 wt %) could also give 62% ML yield. The present study provided a promising way for AL synthesis over cheap, com. available and environmentally benign catalyst.

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Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: 5-Methylfuran-2(3H)-one( cas:591-12-8 ) is researched.Safety of 5-Methylfuran-2(3H)-one.Wang, Xiao-Jun; Hong, Miao published the article 《Lewis-Pair-Mediated Selective Dimerization and Polymerization of Lignocellulose-Based β-Angelica Lactone into Biofuel and Acrylic Bioplastic》 about this compound( cas:591-12-8 ) in Angewandte Chemie, International Edition. Keywords: angelica lactone polymerization dimerization Lewis acid base pair catalyst; Lewis pair polymerization; biofuels; biomass; frustrated Lewis pair; sustainable polymers. Let’s learn more about this compound (cas:591-12-8).

This contribution reports an unprecedentedly efficient dimerization and the first successful polymerization of lignocellulose-based β-angelica lactone (β-AL) by utilizing a selective Lewis pair (LP) catalytic system, thereby establishing a versatile bio-refinery platform wherein two products, including a dimer for high-quality gasoline-like biofuel (C8-C9 branched alkanes, yield=87%) and a heat- and solvent-resistant acrylic bioplastic (Mn up to 26.0 kg mol-1), can be synthesized from one feedstock by one catalytic system. The underlying reason for exquisite selectivity of the LP catalytic system toward dimerization and polymerization was explored mechanistically.

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Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia