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A Benchmark of Density Functional Approximations For Thermochemistry and Kinetics of Hydride Reductions of Cyclohexanones

open access: yesChemistryOpen, 2019
The performance of density functionals and wavefunction methods for describing the thermodynamics and kinetics of hydride reductions of 2‐substituted cyclohexanones has been evaluated for the first time.
Xavier Deraet   +5 more
doaj   +1 more source

Synthesis of ketones from biomass-derived feedstock

open access: yesNature Communications, 2017
Conversion of biomass-derived chemicals to industrially relevant products can allow sustainable production of organic compounds. Here the authors report that aromatic ethers, which can be derived for biomass, can be converted into various cyclohexanones ...
Qinglei Meng   +4 more
doaj   +1 more source

A Diastereoselective Synthesis of Dispiro[oxindole-cyclohexanone]pyrrolidines by 1,3-Dipolar Cycloaddition

open access: yesMolecules, 2017
For the first time, arylmethylidene cyclohexanones that are non-symmetrical due to the presence of peripheral substituents were studied in 1,3-dipolar cycloaddition reactions.
Alexander Anis’kov   +3 more
doaj   +1 more source

Cyclohexanones from and

open access: yesNatural Product Communications, 2009
The phytochemical study of Mimulus glabratus A. Gray allowed the isolation of two cyclohexenones: the new compound 6-chlorohalleridone 1 and halleridone 2.
Marisa Piovano   +3 more
doaj   +1 more source

Redirecting a Native Ene‐Reductase Toward Desaturation With Reverse Enantioselectivity

open access: yesAngewandte Chemie, EarlyView.
A native ene‐reductase, XenA, was repurposed to catalyze the reverse‐enantioselective desaturation of cyclohexanones. The final variant was obtained through extensive protein engineering, combining PROSS‐guided computational design with mutagenesis and screening.
Qing‐Qing Zeng   +4 more
wiley   +2 more sources

Enhanced Formation of Dicarboxylic Acids in the Catalytic Oxidation of Polyethylene With O2 and NOx

open access: yesAngewandte Chemie, EarlyView.
The oxidation of polyethylene in the presence of a mixture of O2 and NOx and with Cu2+/V5+ as catalyst yields ∼51 mol% diacids, while retaining ∼80 mol% of the carbon in the oil fraction. The developed method is robust and tolerates several polymer types as well as impurities.
Tom J. Smak   +3 more
wiley   +2 more sources

Regioselective Ethanolamination and Ketalization of 3-Ph-2,4-diacetyl(diethoxycarbonyl)-5-hydroxy-5-methylcyclohexanones

open access: yesMolecules, 2003
The reaction of 3-phenyl-2,4-diacetyl(diethoxycarbonyl)-5-hydroxy-5-methylcyclohexanones with ethanolamine and ethylene glycol proceeds regioselectively using the carbonyl group of the alicycle to produce the corresponding cyclohexenylethanolamines and ...
Vitaly V. Sorokin   +3 more
doaj   +1 more source

Synthesis of Cyclohexanone Oxime from Cyclohexanone and Ammonia.

open access: yesJournal of The Japan Petroleum Institute, 1999
シクロヘキサノンとアンモニアのみを原料とするシクロヘキサノンオキシムの合成を検討した結果, Na-ZSM-5が高い活性を示すことを見い出した。この触媒の活性サイトは触媒上の塩基点であると考えられる。主な副生成物は, アルドール脱水縮合反応を経由して生成するピリジンの誘導体であった。反応温度, 反応時間, 原料組成比などを最適化することにより, 高いシクロヘキサノンオキシム選択率を得ることができた。
FAN, Li, LIU, Jialing, FUJIMOTO, Kaoru
openaire   +2 more sources

Carboranyl‐Curcuminoids for the Neutron Capture‐Based Treatment of Amyloid Aggregates in Alzheimer's Disease

open access: yesAdvanced Science, EarlyView.
The 10B‐enriched monocarbonyl analog of curcumin (BMAC) 10B‐9 enables site‐specific Boron Neutron Capture Therapy (BNCT) on amyloid‐β (Aβ) fibrils. Neutron irradiation induces histidine oxidation and fibril destabilization, as revealed by 1H‐NMR and FESEM analyses.
Sebastiano Micocci   +13 more
wiley   +1 more source

Cobalt/Photoredox Catalyzed Desymmetrization of Oxo and Azabicycles via Asymmetric Reductive Coupling With Alkynes

open access: yesAdvanced Science, EarlyView.
A one‐step, asymmetric reductive coupling of alkynes and oxa‐ and aza‐bicyclic olefins using a cobalt/photoredox catalytic system through desymmetrization. ABSTRACT Bicyclo[2.2.1]heptane frameworks represent a privileged structural motif prevalent in numerous natural products and bioactive molecules.
Subhankar Pradhan   +5 more
wiley   +1 more source

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