Month: April 2022

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: 148-51-6, is researched, Molecular C8H12ClNO2, about Action site of antagonists of vitamin B6 in the central nervous system of frogs and cockroaches, the main research direction is thiosemicarbazide central nervous system; vitamin B6 antagonist nerve; semicarbazide frog nervous system; isoniazid frog nervous system; penicillamine frog nervous system; castrix frog nervous system; deoxypyridoxine frog nervous system.Computed Properties of C8H12ClNO2.

Treatment with thiosemicarbazide [79-19-6], semicarbazide-HCl [563-41-7], isoniazide [54-85-3], DL-penicillamine [52-66-4], or toxopyrimidine [73-67-6] induced wild leaping or jumping behavior, and tonic or clonic convulsions in the frog (Rana nigromaculata) in which the nervous parts posterior to the optic lobe inclusive remained intact. No convulsions were induced by castrix [535-89-7] or 4-deoxypyridoxine-HCl [148-51-6] in frogs in which the nervous parts anterior to the diencephalon inclusive had been removed. Excessive restlessness and convulsions were induced by thiosemicarbazide in cockroaches (Periplaneta americana) in which the central nerve cord was severed between the subesophageal and prothoracic ganglia.

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Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Category: pyrimidines. 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: (S)-3-Methoxypyrrolidine, is researched, Molecular C5H11NO, CAS is 120099-61-8, about Identification of a New Series of Potent Adenosine A2A Receptor Antagonists Based on 4-Amino-5-carbonitrile Pyrimidine Template for the Treatment of Parkinson’s Disease.

Adenosine receptor A2A antagonists have emerged as potential treatment for Parkinson’s disease in the past decade. The authors have recently reported a series of adenosine receptor antagonists using heterocycles as bioisosteres for a potentially unstable acetamide. These compounds, while showing excellent potency and ligand efficiency, suffered from moderate cytochrome P 450 inhibition and high clearance. Here the authors report a new series of adenosine receptor A2A antagonists based on a 4-amino-5-carbonitrile pyrimidine template. Compounds from this new template exhibit excellent potency and ligand efficiency with low cytochrome P 450 inhibition. Although the clearance remains moderate to high, the leading compound, when dosed orally as low as 3 mg/kg, demonstrated excellent efficacy in the haloperidol induced catalepsy rat model for Parkinson’s disease.

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Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Electric Literature 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 One-pot conversion of furfural to gamma-valerolactone in the presence of multifunctional zirconium alizarin red S hybrid.

A multifunctional Zr-containing catalyst (FM-Zr-ARS) was successfully synthesized by a modulated hydrothermal synthesis route. Systematic characterization results supported the presence of robust porous inorganic-organic frameworks stabilized by the strong coordination interaction of Zr4+ with oxygen-rich functional groups in Alizarin red S (ARS). Moreover, the -O-Zr-O- network in the FM-Zr-ARS structure formed a rich content of acid-base sites. In addition, the inherent sulfonic groups in ARS made the FM-Zr-ARS hybrids possess Bronsted acid sites. Therefore, under the synergistic catalysis of the multiple functional sites, FM-Zr-ARS showed remarkably high catalytic activity for γ-valerolactone (GVL) production from levulinate esters and furfural. Finally, 72.4% and 97.7% yields of GVL were obtained in the conversion of furfural and Et levulinate, resp., after 8 h of reaction at 433 K. On the basis of the role of different functional sites, a plausible catalytic mechanism was presented for the conversion of biomass-derived furfural to GVL.

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Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

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, Proceedings of the Society for Experimental Biology and Medicine called Nicotinamide inhibitors, Author is Cote, L.; Oleson, J. J.; Williams, J. H., which mentions a compound: 148-51-6, SMILESS is OC1=C(C)C(CO)=CN=C1C.[H]Cl, Molecular C8H12ClNO2, Product Details of 148-51-6.

3,5-Pyridinedicarboxylic acid, 2,3-pyrazinedicarboxylic acid, 4-methyl-2,3-pyridinedicarboxylic acid, 2,3-pyrazinedicarboxamide, 3-bromopyridine, 2-methyl-3-amino-4,5-bis(aminomethyl)pyridine, N-thiazolylpyrazinamide, N,N-dimethylpyrazinamide, N-methylpyrazinamide, N-pyrazinylthiourea, N-(hydroxymethyl)pyrazinamide, diethyl N-pyrazinoylaspartate, N-pyrazinoylpiperidine, N-isobutylpyrazinamide, N-(2-pyridyl)pyrazinamide, N-(3-pyridyl)pyrazinamide, N-phenylpyrazinamide, N-hexadecylpyrazinamide, 3-pyrazinoylaminoquinoline, N-(2-hydroxyethyl)-N’-pyrazinoylethylenediamine, 3-hydroxy-6-pyridazinecarboxamide, 2-pyrrolidone-5-carboxamide, 1-thiazolyl-2-pyrrolecarboxamide, desoxypyridoxine, salicylamide, furoic acid, furanilide, pyrazinohydrazide, 1-carbethoxy-4(1,2-dicarbethoxyethyl)piperazine, N-(p-methoxybenzyl)pyrazinamide, pyrazinohydroxamic acid, and Et N-pyrazinoyl-β-alanate had no anti-nicotinamide activity when tested against Lactobacillus arabinosus and none stimulated growth. Pyrazinamide, pyrazinoic acid, and 2-sulfanilamido-5-nitropyridine reversibly inhibited the action of nicotinamide on the organism. Pyrazinamide was not a nicotinamide antagonist for rats or chicks.

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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 《Pyridoxine chemistry. IV. Proton magnetic resonance spectra of compounds in the vitamin B6 group》. Authors are Korytnyk, W.; Singh, R. P..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).Quality Control of 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride. Through the article, more information about this compound (cas:148-51-6) is conveyed.

cf. CA 58, 5622h. The proton magnetic resonance (p.m.r.) spectra of compounds in the vitamin B6 group have been determined in D2O solution, and the proton peaks have been assigned on the basis of comparison with several analogs of pyridoxol (I). Considerable changes in p.m.r. spectra have been observed in acid, neutral, and alk. solutions and have been rationalized on the basis of the electronic properties of the various ionic forms. A facile base-catalyzed deuterium exchange has been observed in I derivatives in which the heterocyclic N is quaternized. The nature of the aldehyde group in pyridoxal and in pyridoxal phosphate has been elucidated.

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Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 5-Methylfuran-2(3H)-one(SMILESS: O=C1OC(C)=CC1,cas:591-12-8) is researched.Related Products of 591-12-8. The article 《Humins with Efficient Electromagnetic Wave Absorption: A By-Product of Furfural Conversion to Isopropyl Levulinate via a Tandem Catalytic Reaction in One-Pot》 in relation to this compound, is published in Chemistry – A European Journal. Let’s take a look at the latest research on this compound (cas:591-12-8).

Both one-pot catalytic conversion of furfural (FAL) to iso-Pr levulinate (PL) and carbonization of byproduct (humins) for electromagnetic wave absorption are discussed, which provides inspiration that humins can be applied to electromagnetic wave absorption. In the former, phosphotungstic acid (PW) is employed as a homogeneous catalyst to convert FAL to PL via a tandem reaction in one pot, with the formation of a vast amount of humins. With FAL and various intermediates as substrates, it was found that humins was a polymerization product of FAL, furfuryl alc. (FOL) and furfuryl ester (FE) with furan rings. In addition, the in situ attenuated total reflection IR (ATR-IR) spectra also provided a basis for the proposed reaction route. In the latter, with the humins as raw material, P species and WO3 doped nano-porous carbon (Humins-700) platform formed after high-temperature annealing is used for electromagnetic wave absorption and manifests desirable absorption performance. The min. reflection loss (RLmin) value is -47.3 dB at 13.0 GHz with a thickness of 2.0 mm and the effective absorption bandwidth reaches 4.5 GHz (11.2-5.7 GHz).

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Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Related Products of 591-12-8. 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 Butenolide Derivatives of Biobased Furans: Sustainable Synthetic Dyes. Author is Saska, Jan; Li, Zheng; Otsuki, Andrew L.; Wei, Jiahui; Fettinger, James C.; Mascal, Mark.

The dye and pigment manufacturing industry is one of the most polluting in the world. Each year, over one million tons of petrochem. colorants are produced globally, the synthesis of which generates a large amount of waste. Naturally occurring, plant-based dyes, on the other hand, are resource intensive to produce (land, water, energy), and are generally less effective as colorants. Between these two extremes would be synthetic dyes that are fully sourced from biomass-derived intermediates. The present work describes the synthesis of such compounds, containing strong chromophores that lead to bright colors in the yellow to red region of the visible spectrum. The study was originally motivated by an early report of an unidentified halomethylfurfural derivative which resulted from hydrolysis in the presence of barium carbonate, now characterized as a butenolide of 5-(hydroxymethyl)furfural (HMF). The method has been generalized for the synthesis of dyes from other biobased platform mols., and a mechanism is proposed.

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Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

COA of Formula: C5H6O2. 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: 5-Methylfuran-2(3H)-one, is researched, Molecular C5H6O2, CAS is 591-12-8, about The β-carotene-oxygen copolymer: Its relationship to apocarotenoids and β-carotene function. Author is Mogg, Trevor J.; Burton, Graham W..

β-Carotene spontaneously copolymerizes with mol. oxygen to form a β-carotene-oxygen copolymer compound (“”copolymer””) as the main product, together with small amounts of many apocarotenoids. Both the addition and scission products are interpreted as being formed during progression through successive free radical β-carotene-oxygen adduct intermediates. The product mixture from full oxidation of β-carotene, lacking both vitamin A and β-carotene, has immunol. activities, some of which are derived from the copolymer. However, the copolymer’s chem. makeup is unknown. A chem. breakdown study shows the compound to be moderately stable but nevertheless the latent source of many small apocarotenoids. GC-MS anal. with mass-spectral library matching identified a min. of 45 structures, while more than 90 others remain unassigned. Newly identified products include various small keto carboxylic acids and dicarboxylic acids, several of which are central metabolic intermediates. Also present are glyoxal and Me glyoxal dialdehydes, recently reported as β-carotene metabolites in plants. Although both compounds at higher concentrations are known to be toxic, at low concentration, Me glyoxal has been reported to be potentially capable of activating an immune response against microbial infection. In plants, advantage is taken of the electrophilic reactivity of specific apocarotenoids derived from β-carotene oxidation to activate protective defenses. Given that the copolymer occurs naturally and is a major product of non-enzymic β-carotene oxidation in stored plants, by partially sequestering apocarotenoid metabolites, the copolymer may serve to limit potential toxicity and maintain low cellular apocarotenoid concentrations for signaling purposes. In animals, the copolymer may serve as a systemic source of apocarotenoids.

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Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

COA of Formula: C10H8ClN. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: 4-Chloro-8-methylquinoline, is researched, Molecular C10H8ClN, CAS is 18436-73-2, about C(sp3)-H amination of 8-methylquinolines with azodicarboxylates under Rh(III) catalysis: cytotoxic evaluation of quinolin-8-ylmethanamines. Author is Jeong, Taejoo; Mishra, Neeraj Kumar; Dey, Prasanta; Oh, Hyunjung; Han, Sangil; Lee, Suk Hun; Kim, Hyung Sik; Park, Jihye; Kim, In Su.

The rhodium(III)-catalyzed C(sp3)-H amination reaction of 8-methylquinolines and azodicarboxylates is described. A cationic rhodium catalyst in the presence of lithium acetate and lithium carbonate was found to be an optimal catalytic system for the construction of quinolin-8-ylmethanamine derivatives, which were evaluated for in vitro cytotoxicity against human breast adenocarcinoma cells (MCF-7) and human prostate adenocarcinoma cells (LNCaP).

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Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Electric Literature of C5H6O2. 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 One-pot direct conversion of levulinic acid into high-yield valeric acid over a highly stable bimetallic Nb-Cu/Zr-doped porous silica catalyst. Author is Karanwal, Neha; Verma, Deepak; Butolia, Paresh; Kim, Seung Min; Kim, Jaehoon.

The direct conversion of levulinic acid (LA) to valeric biofuel is highly promising for the development of biorefineries. Herein, LA is converted into valeric acid (VA) via one-pot direct cascade conversion over non-noble metal-based Nb-doped Cu on Zr-doped porous silica (Nb-Cu/ZPS). Under mild reaction conditions (150°C and 3.0 MPa H2 for 4 h), LA was completely converted into VA in high yield (99.8%) in aqueous medium with a high turnover frequency of 0.038 h-1. The Lewis acid sites of ZPS enhanced the adsorption of LA on the catalyst surface, and both the Lewis and Bronsted acidity associated with Nb2O5 and the metallic Cu0 sites promoted catalysis of the cascade hydrogenation, ring cyclization, ring-opening, and hydrogenation reactions to produce VA from LA. The bimetallic Nb-Cu/ZPS catalyst was also effective for the conversion of VA into various valeric esters in C1-C5 alc. media. The presence of Nb2O5 effectively suppressed metal leaching and coke formation, which are serious issues in the liquid-phase conversion of highly acidic LA during the reaction. The catalyst could be used for up to five consecutive cycles with marginal loss of activity, even without catalyst re-activation.

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Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia