A Theoretical Kinetic Study on Concerted Elimination Reaction Class of Peroxyl-hydroperoxyl-alkyl Radicals (•OOQOOH) in Normal-alkyl Cyclohexanes [PDF]
Molecules, 2023 The concerted elimination reaction class of peroxyl-hydroperoxyl alkyl radicals (•OOQOOH) plays a crucial role in the low-temperature combustion of normal-alkyl cyclohexanes.
Xiaoxia Yao, Jilong Zhang, Yifei Zhu
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[2]-Ladderanes as isosteres for meta-substituted aromatic rings and rigidified cyclohexanes [PDF]
Nature Communications, 2022 The development of new classes of isosteres and building blocks is crucial to the advancement of medicinal chemistry programs. Here, the authors report the synthesis and development of ladderanes to act as replacements for meta-substituted aromatic rings
Rachel C. Epplin +10 more
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Computational Kinetic Study on the Intramolecular H-Migration of Hydroperoxyalkylperoxy Radicals (•OOQOOH) in Normal-Alkyl Cyclohexanes [PDF]
MoleculesHydroperoxyalkylperoxy radicals (•OOQOOH) are important intermediates in the low-temperature oxidation chemistry of conventional fuels. In these species, a hydrogen atom may migrate from a non-adjacent carbon to the peroxy group, forming a ...
Xiaoxia Yao, Juanqin Li, Zerong Li
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Stereoselective intermolecular radical cascade reactions of tryptophans or ɤ-alkenyl-α-amino acids with acrylamides via photoredox catalysis [PDF]
Nature Communications, 2022 Photocatalytic radical cascade reactions enable the facile construction of diverse cyclic compounds, though they rely on templated precursors. In this paper, the authors report on stereoselective intermolecular radical cascade reaction between tryptophan
Jiang-Tao Li +5 more
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Stereoselective Synthesis of Multisubstituted Cyclohexanes by Reaction of Conjugated Enynones with Malononitrile in the Presence of LDA [PDF]
Molecules, 2020 Reaction of linear conjugated enynones, 1,5-diarylpent-2-en-4-yn-1-ones, with malononitrile in the presence of lithium diisopropylamide LDA, as a base, in THF at room temperature for 3–7 h resulted in the formation of the product of dimerization ...
Anastasiya V. Igushkina +4 more
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High-Pressure Limit and Pressure-Dependent Rate Rules for β-Scission Reaction Class of Hydroperoxyl Alkyl Hydroperoxyl Radicals (•P(OOH)2) in Normal-Alkyl Cyclohexanes Combustion [PDF]
MoleculesChemical kinetic studies of the β-scission reaction class of hydroperoxyl alkyl hydroperoxyl radicals (•P(OOH)2) from normal-alkyl cyclohexanes are carried out systematically through high-level ab initio calculations. Geometry optimizations and frequency
Xiaoxia Yao, Xiaoli Sun, Yifei Zhu
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Machine learning based estimation of density of binary blends of cyclohexanes in normal alkanes [PDF]
Scientific ReportsGiven the application of cycloalkanes in surrogate blends for aviation fuels, their determination of critical characteristics pertinent to fuel transportation and combustion becomes imperative.
Ali Yarahmadi, Ali Rashedi, Amin Bemani
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Synthesis of meta-carbonyl phenols and anilines [PDF]
Nature CommunicationsPhenols and anilines are of extreme importance for medicinal chemistry and material science. The development of efficient approaches to prepare both compounds has thus long been a vital research topic.
Bao-Yin Zhao, Qiong Jia, Yong-Qiang Wang
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Oxidation of Cyclohexane to Cyclohexanol/Cyclohexanone Using Sol-Gel-Encapsulated Unspecific Peroxygenase from Agrocybe aegerita. [PDF]
ChemistryOpenWu Y, Hollmann F, Musa MM.
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Comprehensive Thermodynamic Study of Alkyl-Cyclohexanes as Liquid Organic Hydrogen Carriers Motifs
Hydrogen, 2023 Alkyl-cyclohexanes can be considered as suitable model compounds to understand the thermochemistry of aromatic compounds and their hydrogenated counterparts discussed as Liquid Organic Hydrogen Carrier systems.
Sergey P. Verevkin +4 more
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