Category: 584-02-1

MacQueen, Blake published the artcileOptimum Reaction Conditions for 1,4-Anhydroerythritol and Xylitol Hydrodeoxygenation over a ReOx-Pd/CeO2 Catalyst via Design of Experiments, Related Products of alcohols-buliding-blocks, the main research area is anhydroerythritol xylitol hydrodeoxygenation ReO palladium Ceria catalyst.

In this study, we demonstrate that for the simultaneous hydrodeoxygenation (HDO) of 1,4-anhydroerythritol a comparable yield of THF is obtained at half the previously reported H2 pressure. The simultaneous hydrodeoxygenation was conducted using a heterogeneous ReOx-Pd/CeO2 catalyst. An L9 Taguchi design of experiment was enacted to elucidate the temperature, pressure, and catalyst loading effects on the yield of the HDO reaction by testing pressures ranging from 40 to 80 bar H2, temperatures of 100-180 °C, and Re loadings of 2-4 weight %. Our design showed that the yield of this reaction is significantly affected by the reaction temperature only. An L9 Taguchi design was conducted for xylitol simultaneous hydrodeoxygenation with pressures ranging from 5 to 10 bar H2, temperatures of 140-180 °C, and Re loadings of 2-4 weight %. The xylitol design elucidated the direct relation of pressure, and the inverse relation of temperature and catalyst loading, to yield with the optimal reaction condition being 140 °C and 10 bar H2.

Industrial & Engineering Chemistry Research published new progress about Deoxidation. 584-02-1 belongs to class alcohols-buliding-blocks, name is 3-Pentanol, and the molecular formula is C5H12O, Related Products of alcohols-buliding-blocks.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

OReilly, Matthew C. published the artcileDiscovery-Based Bromination of Alcohols: An Organic Chemistry Experiment Supporting Spectroscopic Analysis and Mechanistic Reasoning, Quality Control of 584-02-1, the main research area is isomeric alc bromination laboratory experiment.

The bromination of six isomeric alcs. is adapted to a discovery-based organic chem. laboratory experiment, whereby students are provided an alc. starting material and are charged with determining the product or product mixture produced using relevant spectroscopic data. The experiment solidifies NMR anal. skills while reinforcing the mechanistic reasoning that supports the study of organic reactions. The laboratory is highly customizable and can be adapted to align with available instrumentation to best meet the needs of students, and it has been successfully implemented at three sep. universities.

Journal of Chemical Education published new progress about Bromination. 584-02-1 belongs to class alcohols-buliding-blocks, name is 3-Pentanol, and the molecular formula is C5H12O, Quality Control of 584-02-1.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Zhang, Penghan published the artcileOn sample preparation methods for fermented beverage VOCs profiling by GCxGC-TOFMS, Recommanded Product: 3-Pentanol, the main research area is fermented beverage sample preparation VOC profiling GCxGC TOFMS; Fermented beverages; Sample preparation methods; Two dimensional gas chromatography–mass spectrometry; VOC profiling.

Aromas and tastes have crucial influences on the quality of fermented beverages. The determination of aromatic compounds requires global non-targeted profiling of the volatile organic compounds (VOCs) in the beverages. However, exptl. VOC profiling result depends on the chosen VOC collection method. This study aims to observe the impact of using different sample preparation techniques [dynamic headspace (DHS), vortex-assisted liquid-liquid microextraction (VALLME), multiple stir bar sorptive extraction (mSBSE), solid phase extraction (SPE), and solid phase micro-extraction (SPME)] to figure out the most suitable sample preparation protocol for profiling the VOCs from fermented beverages. Five common sample preparation methods were studied with beer, cider, red wine, and white wine samples. After the sample preparation, collected VOCs were analyzed by two-dimensional gas chromatog. coupled with time of flight mass spectrometry (GCxGC-TOFMS). GCxGC oven parameters can be optimized with the Box-Behnken surface response model and response measure on peak dispersion. Due to the unavoidable column and detector saturation during metabolomic anal., errors may happen during mass spectrum construction. Profiling results obtained with different sample preparation methods show considerable variance. Common findings occupy a small fraction of total annotated VOCs. For known fermentative aromas, best coverage can be reached by using SPME together with SPE for beer, and VALLME for wine and cider. GCxGC-TOFMS is a promising tool for non-targeted profiling on VOCs from fermented beverages. However, a proper data processing protocol is lacking for metabolomic anal. Each sample preparation method has a specific profiling spectrum on VOC profiling. The coverage of the VOC metabolome can be improved by combining complementary methods.

Metabolomics published new progress about Apple juice. 584-02-1 belongs to class alcohols-buliding-blocks, name is 3-Pentanol, and the molecular formula is C5H12O, Recommanded Product: 3-Pentanol.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Di Berto Mancini, Marika published the artcileChange of Selectivity in C-H Functionalization Promoted by Nonheme Iron(IV)-oxo Complexes by the Effect of the N-hydroxyphthalimide HAT Mediator, COA of Formula: C5H12O, the main research area is nonheme iron oxo complex hydroxyphthalimide hydrogen transfer hydrocarbon oxidation.

A kinetic anal. of the hydrogen atom transfer (HAT) reactions from a series of organic compounds to the iron(IV)-oxo complex [(N4Py)FeIV(O)]2+ and to the phthalimide N-oxyl radical (PINO) has been carried out. The results indicate that a higher activating effect of α-heteroatoms toward the HAT from C-H bonds is observed with the more electrophilic PINO radical. When the N-hydroxy precursor of PINO, N-hydroxyphthalimide (NHPI), is used as a HAT mediator in the oxidation promoted by [(N4Py)FeIV(O)]2+, significant differences in terms of selectivity have been found. Product studies of the competitive oxidations of primary and secondary aliphatic alcs. (1-decanol, cyclopentanol, and cyclohexanol) with alkylaroms. (ethylbenzene and diphenylmethane) demonstrated that it is possible to modify the selectivity of the oxidations promoted by [(N4Py)FeIV(O)]2+ in the presence of NHPI. In fact, alkylarom. substrates are more reactive in the absence of the mediator while alcs. are preferably oxidized in the presence of NHPI.

ACS Omega published new progress about Biomimetics. 584-02-1 belongs to class alcohols-buliding-blocks, name is 3-Pentanol, and the molecular formula is C5H12O, COA of Formula: C5H12O.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Chen, Yi-Ru published the artcileLong-Range Self-Assembly of an Electron-Deficient Hexaazatrinaphthylene with Out-of-Plane Substituents, Application In Synthesis of 584-02-1, the main research area is soft crystal; charge transport; hexaazatrinaphthylenes; liquid crystals; self-assembly; supramolecular chemistry.

The unprecedented time-dependent long-range supramol. assembly of electron-deficient hexaazatrinaphthylene (HATN) core based on peripheral crowding with three out-of-plane cyclic ketals is reported. The single-crystal X-ray structure of the di-Et derivative provided detailed information as to how four mols. in a repeating unit were packed in order to avoid steric crowding of the out-of-plane cyclic ketal side chain, providing locking and fastening for stabilizing the self-assembled structure. The polarizing optical microscopy (POM) and differential scanning calorimetry (DSC) did not instantaneously show any phase transition upon the cooling process. To our surprise, POM images showed a nucleation of spherulite up to 100μm after 24 h later. X-ray diffraction data further confirmed that these soft crystal formed a hexagonal-like crystal. The long-range self-assembly of the new material showed a slight red shift in the UV-vis absorption spectra and further substantiated by computational method.

ChemPlusChem published new progress about Aggregation. 584-02-1 belongs to class alcohols-buliding-blocks, name is 3-Pentanol, and the molecular formula is C5H12O, Application In Synthesis of 584-02-1.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Kiss, Nora Zsuzsa published the artcileContinuous flow esterification of a H-phosphinic acid, and transesterification of H-phosphinates and H-phosphonates under microwave conditions, Related Products of alcohols-buliding-blocks, the main research area is continuous flow esterification phosphinic acid phosphonate transesterification; H-phosphinates; H-phosphinic acid; H-phosphonates; esterification; microwave flow reactor; transesterification.

The microwave (MW)-assisted direct esterification of phenyl-H-phosphinic acid, transesterification of the alkyl phenyl-H-phosphinates so obtained, and the similar reaction of dibenzyl phosphite (DBP) were investigated in detail, and the batch accomplishments were translated into a continuous flow operation that, after optimization of the parameters, such as temperature and flow rate, proved to be more productive. Alcoholysis of DBP is a two-step process involving an intermediate phosphite with two different alkoxy groups. The latter species are of synthetic interest, as precursors for optically active reagents.

Molecules published new progress about Alcoholysis. 584-02-1 belongs to class alcohols-buliding-blocks, name is 3-Pentanol, and the molecular formula is C5H12O, Related Products of alcohols-buliding-blocks.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Yu, Jie published the artcileEffect of infrared ray roasting on oxidation stability and flavor of virgin rapeseed oils, Computed Properties of 584-02-1, the main research area is virgin rapeseed oil oxidation stability flavor IR ray roasting; flavor; infrared ray roasting; oxidation stability; virgin rapeseed oil.

Effects of IR ray roasting (IRR) on the oxidation stability and flavors of virgin rapeseed oil (VROs) at 110-170°C were investigated and compared with traditional roller roasting (TRR). Results showed that IRR samples showed lower acid and peroxides values, higher oxidation stability index, and 2,2-diphenyl-1-picrylhydrazyl radical scavenging activity than TRR ones. IRR samples displayed better thermal expansion of rapeseed for internal fragmentation from microstructures, which facilitated the release of tocophenols (652.63-748.78 mg/kg) and 4-vinylsyringol (7.54-678.19 mg/kg), compared with TRR ones with tocophenols (652.63-689.28 mg/kg) and 4-vinylsyringol (7.54-524.18 mg/kg) contributing to better oxidation stability. Moreover, important volatile compounds, including pyrazines, isothiocyanates, nitriles and aldehydes, were formed quant. more in IRR than TRR samples, which was attributed to better heat transfer efficiency and internal fragmentation promoting complex reactions inside rapeseed. Therefore, IRR has more pos. roasting effects on VROs than TRR.

Journal of Food Science published new progress about Acid number. 584-02-1 belongs to class alcohols-buliding-blocks, name is 3-Pentanol, and the molecular formula is C5H12O, Computed Properties of 584-02-1.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Wang, Xiaojun published the artcileCharacterization of key odor-active compounds in commercial high-salt liquid-state soy sauce by switchable GC/GC x GC-olfactometry-MS and sensory evaluation, Category: alcohols-buliding-blocks, the main research area is Soy sauce Odor Sensory evaluation; Aroma extract dilution analysis (AEDA); Odor-active compounds; Sensory evaluation; Soy sauce; Switchable GC/GC × GC–olfactometry–mass spectrometry (SGC/GC(2)-O-MS).

Activity of odor compounds of soy sauces has not been fully determined so far. Herein, a new switchable GC/GC x GC-olfactometry-mass spectrometry system for simultaneous GC x GC-MS anal. and sniffing of each odor-active substance through a single injection was used for the aroma extract dilution anal. of five regular high-salt liquid-state soy sauces (HLS). Methional, maltol, guaiacol, 4-ethylguaiacol, 2-acetylpyrrole, 2-acetylfuran, 2-phenylethanol, and 4-hydroxy-2,5-dimethyl-3(2H)-furanone showed high flavor dilution (FD) factors. The FD factors of all odor-active compounds in different odor attributes were summed up (score) to evaluate the odor characteristics of the samples. Cooked potato-like odor was the most important characteristic. The difference in the odor characteristics were mainly reflected in the balance of caramel-like/sweet, roasted/roasted nut-like, spicy/burnt, and unpleasant odor intensity; the fruity odor intensity was the weakest. This study will provide a better understanding of the odor characteristics and key odor-active compounds in Chinese regular com. HLS.

Food Chemistry published new progress about Fermentation. 584-02-1 belongs to class alcohols-buliding-blocks, name is 3-Pentanol, and the molecular formula is C5H12O, Category: alcohols-buliding-blocks.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Huang, Daniel published the artcileGeometry meta-optimization, Application of 3-Pentanol, the main research area is hydrocarbon simulation modeling machine learning.

Recent work has demonstrated the promise of using machine-learned surrogates, in particular, Gaussian process (GP) surrogates, in reducing the number of electronic structure calculations (ESCs) needed to perform surrogate model based (SMB) geometry optimization. In this paper, we study geometry meta-optimization with GP surrogates where a SMB optimizer addnl. learns from its past “”experience”” performing geometry optimization. To validate this idea, we start with the simplest setting where a geometry meta-optimizer learns from previous optimizations of the same mol. with different initial-guess geometries. We give empirical evidence that geometry meta-optimization with GP surrogates is effective and requires less tuning compared to SMB optimization with GP surrogates on the ANI-1 dataset of off-equilibrium initial structures of small organic mols. Unlike SMB optimization where a surrogate should be immediately useful for optimizing a given geometry, a surrogate in geometry meta-optimization has more flexibility because it can distribute its ESC savings across a set of geometries. Indeed, we find that GP surrogates that preserve rotational invariance provide increased marginal ESC savings across geometries. As a more stringent test, we also apply geometry meta-optimization to conformational search on a hand-constructed dataset of hydrocarbons and alcs. We observe that while SMB optimization and geometry meta-optimization do save on ESCs, they also tend to miss higher energy conformers compared to standard geometry optimization. We believe that further research into characterizing the divergence between GP surrogates and potential energy surfaces is critical not only for advancing geometry meta-optimization but also for exploring the potential of machine-learned surrogates in geometry optimization in general. (c) 2022 American Institute of Physics.

Journal of Chemical Physics published new progress about Conformation. 584-02-1 belongs to class alcohols-buliding-blocks, name is 3-Pentanol, and the molecular formula is C5H12O, Application of 3-Pentanol.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Darici, Merve published the artcileEffect of triple pot still distillation on the volatile compositions during the Raki production, Synthetic Route of 584-02-1, the main research area is triple pot still distillation volatile composition raki production.

Raki is a traditional alc. spirit that distills from grapes/raisins distillate so-called suma with aniseed (Pimpinella anisum) in the copper pot still distillers. During distillation, middle-cut fractions are separated and used for Raki productions. Lately, triple pot still distillations as a new process is also used for production In this study, effect of distillation numbers on volatile compounds of middle-cut fraction during the Raki production was investigated. Minor volatiles were extracted with liquid-liquid extraction method and analyzed with GC-MS/FID. Major volatiles were analyzed by direct injection with GC-FID. Odor-active compounds are also identified by GC-O technique. While the number of distillations increased, the amount of volatiles from aniseed and suma decreased and the amount of higher alcs., esters, and aldehydes of middle-cut fractions are decreased. The highest amount of volatiles based on aniseed are determined as trans-anethole, estragole, cis-anethole, and γ-himachalene. Odor-active compounds were identified as anethole, estragole, linalool, ethyl-2-methyl-butanote, γ-himachalene, and p-anisaldehyde. Practical applications : Raki is produced by distillation of “”suma (grape distillate)”” with aniseed (Pimpinella anisum) in traditional copper distillers (pot still) having volume of 5.000 L. Suma is the distillate originating from grapes/raisin that is distilled up to 94.5% volume/volume alc. by column still distillation with the purpose of keeping the flavor and smell of grapes. Raki is a reach product in term of volatile compounds coming from grape distillate and aniseed. Despite of simple (traditional) pot still distillations, triple pot still distillations as a new process is also used in order to improve the quality for Raki production While the number of distillations increased, the amount of esters, terpenes, and aldehydes and volatile phenols are decreased. Off-flavors coming from suma as like pungent, woody, fishy smells are separated with increasing the number of the distillations So perceptions of odor-active compounds that is desired become more powerful in triple distillation

Journal of Food Processing and Preservation published new progress about Distillation. 584-02-1 belongs to class alcohols-buliding-blocks, name is 3-Pentanol, and the molecular formula is C5H12O, Synthetic Route of 584-02-1.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts