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About: Ketone is a(n) research topic. Over the lifetime, 28264 publication(s) have been published within this topic receiving 436250 citation(s). The topic is also known as: ketones.
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Journal ArticleDOI
Yanpeng Ban1, Lijun Jin1, Fanggang Liu1, Jialong Zhu1  +3 moreInstitutions (1)
15 Feb 2022-Fuel
Abstract: Calcium has great catalytic potentials to regulate volatiles from low-rank coal pyrolysis to form high-valued products. Due to the complexity of coal structure, it's still no consensus on the catalytic mechanism over calcium catalyst. In this paper, coal-related model compounds with representative O-containing functional groups [1,4-naphthalenedicarboxylic acid, poly (4-vinylphenol) and poly (2,6-dimethyl-1,4-phenylene oxide)] were chosen to study the primary pyrolysis product distribution and composition over calcium components by FTIR, TGA and in-situ pyrolysis vacuum ultraviolet photoionization time-of-flight mass spectrometry. The results show that calcium could be ion-exchanged with the O-containing acidic groups (carboxyl functional group or phenolic hydroxyl group) presented in the model compounds to significantly improve the thermal stability, and the pyrolysis of carboxylic and phenolic compounds in the presence of calcium will not only promote a complex cross-linking reaction for the formation of polymers, but also lead to the formation of ketone compounds. The addition of calcium has no effect on the decomposition modes of ether bond connecting two aromatic rings. In addition, the interaction mode and thermal conversion mechanism between carboxyl groups and calcium component were studied. The benzoic acid, 2-naphthoic acid, anthracene-9-carboxylic acid, and 1-pyrenecarboxylic acid were used to investigate the effect of aromatic ring number on the transformation of carboxyl functional groups under the action of calcium. The results showed that the difference of substitution positions may have a certain effect on the formation of products, but the effect of calcium on the main transformation mechanism of carboxyl functional groups in different aromatic structures is universal.

Journal ArticleDOI
Ismail Althagafi1Institutions (1)
Abstract: Different novel derivatives of 5-(5-bromothiophen-2-oyl)-2-(phenylamino)thiophen-3-yl) ethylidene-hydrazinylthiazole and 2-(5-bromothiophen-2-oyl)thieno[2,3-b]pyridine were prepared by utilizing the synthesized (5-bromothien-2-yl) (4-acetyl-3-methyl-5-phenylaminothien-2-yl) ketone (3) as a precursor. The electronic and chemical reactivity of the derivatives toward nucleophilic, electrophilic, and radical attacks were evaluated based on quantum chemical calculations; the highest occupied molecular orbital (HOMO)-lowest occupied molecular orbital (LUMO) energies and Fukui indices were determined using the density functional theory (DFT) at Becke, 3-parameter, Lee–Yang–Parr (B3LYP) level. Compound 6 possessed the lowest HOMO energy value (EH), LUMO energy value (EL), and energy gap (ΔEH-L). Significant inhibition percentage was observed while evaluating the antioxidant activities of the synthesized di-2-thienyl ketones 3–8 using vitamin C as a reference drug. The highest antioxidant activity with an IC50 value of 39.85 and 34.37 µM was observed for the di-2-thienyl ketones 5 and 6 incorporating thiazole ring. Meanwhile, the rest of the di-2-thienyl ketone derivatives displayed reasonable IC50 values from 51.60 to 68.88 µM. This experimental data was supported by molecular docking analysis of the interactions between di-2-thienyl ketone compounds and cytochrome c peroxidase (PDB Code: 2AS1) applied through Molecular Operating Environment (MOE) v10.2015.10.

Journal ArticleDOI
Abstract: Using a molecular jet Fourier transform spectrometer, the microwave spectrum of E-3-penten-2-one, also called methyl propenyl ketone, was recorded in a range from 2.0 to 26.5 GHz. Two conformers, antiperiplanar (ap) and synperiplanar (sp), could be identified. Complicated splitting patterns arising due to the internal rotation of the acetyl methyl and propenyl methyl groups could be resolved, and all measured rotational transitions were fitted to measurement accuracy. The barrier heights of the acetyl methyl group are 434.149(37) cm−1 and 358.076(26) cm−1 for the ap and sp conformers, respectively. For the propenyl methyl group, the barrier is 581.903(45) cm−1 for the ap conformer and 595.271(71) cm−1 for the sp conformer. By comparing these results to those of other ketones categorized in a class system connecting the internal rotation of the acetyl methyl group to the structures of the molecules, we extended the categorization with a new class for α,β-unsaturated ketones.

Journal ArticleDOI
Abstract: This paper attempts to understand ethanol and acetone sensing behavior of atmospheric plasma sprayed copper oxide coating. Gas responses toward 300 ppm ethanol (~844%) and 300 ppm acetone (~600%) were observed at 300 °C. Herein, response transients measured at different concentrations (300-25 ppm) were analyzed following Freundlich adsorption isotherm. Further, activation energy of adsorption was correlated with gas response (%) of ethanol and acetone vapors. Two different analytes, ethanol being an alcohol and acetone being a ketone form a distinct cluster in the principal component analysis. In a nut shell, gas sensing was found to be influenced by analyte properties (type, molecular weight, and kinetic diameter), nature of sensing surface, and reaction pathways during the gas-solid interaction.

Journal ArticleDOI
Jitan Zhang1, Manyi Wu1, Hu Ju1, Haitao Yang1  +4 moreInstitutions (1)
TL;DR: A silver-catalyzed, K2S2O8-mediated protocol to access the regioselective acylarylation of unactivated alkenes was reported.
Abstract: A silver-catalyzed, K2S2O8-mediated protocol to access regioselective acylarylation of unactivated alkenes was developed. The reaction between N-allyl-indoles and α-oxocarboxylic acids proceeded smoothly and involved an acyl radical addition/C–H cyclization cascade. The protocol showed a broad substrate scope and good tolerance of functional groups. The reaction proceeded with both internal and terminal alkenes to furnish many functional pyrrolo[1,2-a]indoles bearing the ketone carbonyl group, and this feature also provides the potential to construct structurally complex N-containing heterocycles.

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