Category: 584-02-1

Herasymchuk, Khrystyna published the artcileA New Look at the Competitive Nucleophilic Substitution Reaction in the Pentanol Series, Quality Control of 584-02-1, the main research area is nucleophilic substitution reaction pentanol.

Substitution reactions of alcs. are some of the simplest experiments performed in undergraduate organic chem. laboratory settings. However, the use of gas chromatog. (GC) as an anal. tool for these reactions can be at time laborious and time-consuming. In this work, 1-pentanol, 2-pentanol, 3-pentanol, and 2-methyl-2-butanol were reacted with a 50/50 mixture of ammonium chloride-ammonium bromide in water to yield the corresponding alkyl bromide and alkyl chloride mixtures Aliquots of the reaction mixture were analyzed using proton NMR (1H NMR) spectroscopy and verified by GC. Secondary to secondary carbocation rearrangements were observed in the nucleophilic substitution reactions of 2- and 3-pentanol yielding a mixture of 2- and 3-substituted alkyl halides, while the primary and tertiary alcs. yielded the expected products. Students were assessed on their observations and explanations with the majority of them able to identify the correct reasoning for the alkyl halides mixture formation. 1H NMR spectroscopy provided an inexpensive and quicker method to analyze the mixture and expose the students to the secondary to secondary carbocation rearrangement in the nucleophilic substitution reaction in the pentanol series.

Journal of Chemical Education published new progress about Carbocations. 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

Ozcan-Sinir, Gulsah published the artcileDetection of adulteration in extra virgin olive oil by selected ion flow tube mass spectrometry (SIFT-MS) and chemometrics, COA of Formula: C5H12O, the main research area is extra virgin olive oil adulteration SIFT MS chemometric.

Extra virgin olive oil is one of the most abundant oils used in a daily diet of Southern and Coastal European cities with its distinctive sensorial profile and health benefits. Because of its high price, EVOO has become one of the most adulterated foods in the world. The most widely used adulterants are seed and nut oils, lower quality olive oils or old olive oils. Many anal. methodologies have been used to detect adulteration. Selected ion flow tube mass spectrometry is a unique method that measures volatile organic compounds simply, rapidly and sensitively. Soft independent modeling of class analogy was used to distinguish between EVOO samples based on their volatile contents. This study focused on the measurement of the volatile composition of extra virgin olive oils and determines targeted adulteration. Apparent differentiation was detected between adulterated EVOO and EVOO samples. Interclass distances higher than 3 indicates that samples were significantly different. SIFT-MS is a rapid and accurate technique to determine EVOO adulteration with chemometrics. According to partial least squares regression adulteration levels were clear in most samples. 1-Octanol, 1-penten-3-one, 2-phenylethanol, dodecane, anisole, Et nonanoate, isobutanoic acid, ocimene, phenol, toluene were determined as the most discriminant compounds to classify adulteration.

Food Control published new progress about Chemometrics. 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

Sagandira, Cloudius R. published the artcileContinuous-Flow Synthesis of (-)-Oseltamivir Phosphate (Tamiflu), SDS of cas: 584-02-1, the main research area is mesylation oseltamivir phosphate Tamiflu synthesis shikimate azide.

Herein the anti-influenza drug (-)-oseltamivir phosphate is prepared in continuous flow from Et shikimate with 54% overall yield over nine steps and total residence time of 3.5 min from the individual steps. Although the procedure involved intermediate isolation, the dangerous azide chem. and intermediates involved were elegantly handled in situ. It is the first continuous-flow process for (-)-oseltamivir phosphate involving azide chem. and (-)-shikimic acid as precursor.

Synlett published new progress about Sulfonylation. 584-02-1 belongs to class alcohols-buliding-blocks, name is 3-Pentanol, and the molecular formula is C5H12O, SDS of cas: 584-02-1.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Lukic, Igor published the artcileCombined targeted and untargeted profiling of volatile aroma compounds with comprehensive two-dimensional gas chromatography for differentiation of virgin olive oils according to variety and geographical origin, Product Details of C5H12O, the main research area is volatile aroma compound virgin olive oil 2D GC; Comprehensive two-dimensional gas chromatography; Croatia; Geographical origin; Mono-dimensional; Multivariate analysis; Variety; Virgin olive oil; Volatile aroma compounds.

Comprehensive two-dimensional gas chromatog. with time-of-flight mass spectrometry (GC × GC-TOF-MS) was combined with conventional mono-dimensional GC-MS to differentiate Croatian virgin olive oils (VOO) according to variety and geog. origin, based on the profile of volatile aroma compounds isolated by HS-SPME. More than 1000 compounds were detected after untargeted profiling and 256 were identified or tentatively identified, providing one of the most detailed profiles of volatile aroma compounds in VOO up to date. Among them, 131 volatile compounds were significantly different across monovarietal VOOs, while 60 were found useful for the discrimination according to geog. origin. Many major lipoxygenase and minor non-lipoxygenase-generated compounds were shown to have discriminating ability with respect to both factors. Multivariate statistical anal. extracted twenty-one volatile markers with the highest discriminant power for varietal differentiation. The approach reported may have practical application in better understanding, defining, managing, and communicating the varietal or geog. typicity of monovarietal VOOs.

Food Chemistry published new progress about Food analysis. 584-02-1 belongs to class alcohols-buliding-blocks, name is 3-Pentanol, and the molecular formula is C5H12O, Product Details of C5H12O.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Saavedra Moreno, Yesenia published the artcileClassification of flotation frothers – A statistical approach, Application of 3-Pentanol, the main research area is frother flotation classification statistical approach.

This paper presents a statistical study to classify non-ionic frothers based on seven frother characteristics, mol. weight (MW), hydrophile-lipophile balance, critical coalescence concentration, the min. sauter mean diameter, dynamic foam stability index, static foam stability index, and decay rate index. A principal component anal. (PCA) was conducted to transform the seven frother characteristics into uncorrelated variables called principal components. The first principal component already explained 64.4% of the variance, and the addition of the second and third principal components explained 92.1% of the variance. A hierarchical cluster anal. (HCA) was conducted using the first three principal components. The Euclidean distance, which is the square distance between the standardized coordinates of two frothers in a generalized parameter space, was calculated for all frothers. At a Euclidean distance of 4, frothers were grouped into four groups, in which group 1 consisted of the most powerful frothers that produced stable foams and group 4 was composed of weakest frothers.

Chemical Engineering Science published new progress about Cluster analysis. 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

Bulat, Elif published the artcileNi(II) complexes with 1,3,2,4-dithiadiphosphetane 2,4-disulfide-based ligands: Structural insights, theoretical studies, and anticancer activities, COA of Formula: C5H12O, the main research area is nickel dimethoxyphenyl dithiadiphosphetane disulfide complex preparation crystal mol structure; anticancer activity mol structure calculation dithiadiphosphetane disulfide nickel complex.

The first synthesis of 2,4-bis(3,4-dimethoxyphenyl)-1,3-dithia-2,4-diphosphetane 2,4-disulfide (SAV-A1 reagent) was achieved. Seven oxo-alkyl esters (HLn) were synthesized thereof. Ni(II) complexes ([Ni(Ln)2]) of these ligands were prepared in ethanol. The structures were identified by spectral studies. Ni(II) complexes were unambiguously determined by x-ray crystallog. In addition, the ligands and their Ni(II) complexes were tested on two different human cancer cell lines, including liver and colon. Moreover, d. functional theory (DFT) calculations of the Ni(II) complexes were performed, and the mol. docking studies of these compounds with liver cancer protein, PDB ID: 3WZE and colon cancer antigen proteins, ID 2HQ6 were presented to investigate and predict potential interactions. P4S10.

Applied Organometallic Chemistry published new progress about Antitumor agents. 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

Shi, Yajuan published the artcileNorm index for predicting the rate constants of organic contaminants oxygenated with sulfate radical, Name: 3-Pentanol, the main research area is surface water sulfate radical organic contaminant oxygenation rate modeling; Norm index; Organic contaminants; QSPR; Second-order rate constants; Sulfate radical.

The degradation of organic contaminants in aquatic systems has raised immense attention worldwide, and the second-order rate constant (kSO.-4) of water pollutants oxidized by sulfate radical anion is an important index for assessing the degradation efficiency of organics Herein, a new norm math. formula is defined. Based on this, four new descriptors are proposed and a QSPR model is developed for predicting kSO.-4 using 30 families of emerging organic pollutants in water. The statistical results fully prove that this model has good fitting effect and stability with R2 of 0.8862, Q2LOO of 0.8466, and Q25-fold of 0.8329, resp. The validation results including cross validation, applicability domain anal., and model comparison show that this model has good robustness, predictive performance, and reliability. These decent results indicate that the new norm math. formula is effective in calculating descriptors and the norm indexes have a great application for evaluating the transformation fate of organic pollutants by sulfate radical in aquatic systems.

Environmental Science and Pollution Research published new progress about Electronegativity. 584-02-1 belongs to class alcohols-buliding-blocks, name is 3-Pentanol, and the molecular formula is C5H12O, Name: 3-Pentanol.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Yu, Hang published the artcilePotential of resveratrol in mitigating advanced glycation end-products formed in baked milk and baked yogurt, Name: 3-Pentanol, the main research area is baked milk yogurt resveratrol mitigating glycation end product; Advanced glycation end-products; Baked milk; Baked yogurt; Maillard reaction; Resveratrol.

Throughout the processing, a long-time-high-temperature baking procedure was involved to enhance the formation of a brownish color and desirable flavors; meanwhile, advanced glycation end-products (AGEs) were extensively produced through Maillard reaction (MR). The resveratrol at 1μmol/L was achieved the highest inhibitory rate against the formation of dicarbonyl compounds in the baked milk (3-deoxyglucosone (3-DG): 68.77%, methylglyoxal (MG): 50.46%) and baked yogurt (3-DG: 35.50%, MG: 37.11%). The content of N-(carboxymethyl)lysine (CML) and N-(hydroxyethyl) lysine (CEL) as the two commonly detected AGEs were decreased by higher than 30% and 27% in the baked milk and baked yogurt, resp., when the concentration of resveratrol was 0.1μmol/L. Moreover, the generation of furosine was significantly inhibited by 1μmol/L resveratrol, which was decreased to less than 40% and 60% in the baked milk and baked yogurt, resp. Furthermore, the addnl. level of 0.1μmol/L resveratrol achieved a high inhibitory effect of AGEs, and such an addnl. level would not alter the color and flavor profile of the baked milk and baked yogurt. Considering the high solubility of resveratrol in milk fat, it is speculated that resveratrol mainly acted at an early stage of the degradation, i.e., through the inhibition of the autocatalytic lipid oxidation that generates dicarbonyl compounds but played less as a dicarbonyl compounds scavenger.

Food Research International published new progress about Maillard reaction. 584-02-1 belongs to class alcohols-buliding-blocks, name is 3-Pentanol, and the molecular formula is C5H12O, Name: 3-Pentanol.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Li, Jing published the artcileN-donor ligand supported “”ReO2+””: a pre-catalyst for the deoxydehydration of diols and polyols, Name: 3-Pentanol, the main research area is ligand supported rhenium oxide catalyst diol polyol deoxydehydration.

A selected number of tetradentate N2Py2 ligand-supported ReO2+ complexes and a monodentate pyridine-supported ReO2+ complex have been investigated as catalysts for the deoxydehydration (DODH) of diols and polyols. In situ 1H NMR experiments showed that these N-donor ligand-supported ReO2+ complexes are only the pre-catalyst of the DODH reaction. Treatment of (N2Py2) ReO2+ with an excess amount of water generates an active species for DODH catalysis; use of the Re-product of this reaction shows a much shorter induction period compared to the pristine complex. No ligand is coordinated to the “”water-treated”” complex indicating that the real catalyst is formed after ligand dissociation IR anal. suggested this catalyst to be a rhenium-oxide/hydroxide oligomer. The monodentate pyridine ligand is much easier to dissociate from the metal center than a tetradentate N2Py2 ligand, which makes the Py4ReO2+ -initiated DODH reaction more efficient. For the Py4ReO2+ -initiated DODH of diols and biomass-based polyols, both PPh3 and 3-pentanol could be used as a reductant. Excellent olefin yields are achieved.

Catalysts published new progress about Crystal structure. 584-02-1 belongs to class alcohols-buliding-blocks, name is 3-Pentanol, and the molecular formula is C5H12O, Name: 3-Pentanol.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Saidi, Chourouk Nait published the artcilePredictions of solvation Gibbs free energies with COSMO-SAC approaches, Safety of 3-Pentanol, the main research area is liquid phase solvation Gibbs free energy activity coefficient simulation.

The modeling of a detailed kinetics mechanism in the liquid phase is still not well understood, and the description of solvent effect on reaction rates remains a challenge. Green and co-workers proposed an approach to predict the kinetic constants in liquid phases, which is based on a correction of the kinetic constants in the gas phase. The correction term in Green′s approach involves the solvation Gibbs free energies of the chem. species involved in the reactions. Examples of applications of the method are the kinetic modeling of the oxidation of liquid fuels or the catalytic pyrolysis of biomass. However, an accurate thermodn. model is required to predict the solvation energies. In this work, several predictive models of solvation energies are compared to the large set of exptl. data reported recently by Moine et al. [J. Phys. Chem. Reference Data, 46, 2017] in the CompSol database. Activity coefficients and solvation Gibbs free energies were calculated with different versions of the COSMO-SAC thermodn. model. We propose a re-optimization of the universal parameters of these COSMO-SAC models, and extend them to CPCM cavities. It is found that these approaches are in general much more accurate than the Abraham solvation model that is usually employed in Green′s approach.

Fluid Phase Equilibria published new progress about Chemical potential. 584-02-1 belongs to class alcohols-buliding-blocks, name is 3-Pentanol, and the molecular formula is C5H12O, Safety of 3-Pentanol.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts