Category: 539-88-8

von Keutz, Timo published the artcileContinuous Flow Synthesis of Terminal Epoxides from Ketones Using in Situ Generated Bromomethyl Lithium, Computed Properties of 539-88-8, the main research area is epoxide preparation continuous flow; ketone epoxidation bromomethyl lithium.

A scalable procedure for the direct preparation of epoxides from ketones has been developed. The method is based on the carefully controlled generation of (bromomethyl)lithium (LiCH2Br) from inexpensive CH2Br2 and MeLi in a continuous flow reactor. The reaction has shown excellent selectivity for a variety of substrates, including α-chloroketones, which typically fail under classic Corey-Chaykovsky conditions. This advantage has been used to develop a novel route toward the drug fluconazole.

Organic Letters published new progress about Epoxidation. 539-88-8 belongs to class esters-buliding-blocks, name is Ethyl 4-oxopentanoate, and the molecular formula is C7H12O3, Computed Properties of 539-88-8.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Wen, Zhe published the artcileCatalytic ethanolysis of microcrystalline cellulose over a sulfonated hydrothermal carbon catalyst, Category: esters-buliding-blocks, the main research area is catalytic ethanolysis microcrystalline cellulose sulfonated hydrothermal carbon catalyst.

The catalytic ethanolysis of microcrystalline cellulose in supercritical ethanol is examined over a sulfonated hydrothermal carbon catalyst (SHTC). SHTC is amorphous carbon containing -OH, -COOH and -SO3H groups with total acidity of 7.15 mmol/g and -SO3H acidity of 1.72 mmol/g. SHTC shows high catalytic activity towards the ethanolysis of cellulose in supercritical ethanol. Complete conversion of microcrystalline cellulose with high yields of Et levulinate and Et glucoside is obtained. The reaction temperature, time and catalyst amount have significant effects on the catalytic performances of SHTC. Appropriate reaction time and less catalyst amount are favorable for the production of Et glucoside, while prolonged reaction time and appropriate catalyst amount favor the production of Et levulinate. The highest yield of Et glucoside as 420.9 mg/g cellulose is obtained over 0.1 g SHTC at 245°C for 1 h. The highest yield of Et levulinate as 817.6 mg/g cellulose is achieved over 0.3 g SHTC at 245°C for 1 h. SHTC shows good stability in the recycle experiments with slight loss of catalytic activity.

Catalysis Today published new progress about Ethanolysis. 539-88-8 belongs to class esters-buliding-blocks, name is Ethyl 4-oxopentanoate, and the molecular formula is C7H12O3, Category: esters-buliding-blocks.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Zhang, Zhi published the artcilePreparation and characterisation of ordered mesoporous SO2-4/Al2O3 and its catalytic activity in the conversion of furfuryl alcohol to ethyl levulinate, Application In Synthesis of 539-88-8, the main research area is mesoporous SO24 Al2O3 catalytic furfuryl alc ethyl levulinate.

A series of ordered mesoporous SO42-/Al2O3 (OMSA) solid super acid catalysts were prepared by evaporation-induced self-assembly (EISA) method, followed by sulfonation at different calcination temperatures (400°C-900 °C). The results of transmission electron microscopy (TEM) and small-angle X-ray diffraction (XRD) indicated that all of the OMSAs possessed ordered mesoporous structures. The N2-Brunauer-Emmett-Teller (N2-BET) results showed that the sp. surface area of OMSAs could reach up to 160-380 m2/g, and the average pore diameters fall into the range between 8.6 and 9.8 nm. The temperature-programmed desorption of ammonia (NH3-TPD) characterization proofed that the OMSAs contained super acid, and ammonia desorption by the super acid in the OMSA calcined at 600 °C reached 25.9 cm3/g STP. The pyridine adsorption IR (Py-IR) indicated that all of the OMSAs consisted mainly of Lewis acids. The OMSA was used to catalyze furfuryl alc. in the synthesis of Et levulinate (EL). The maximum yield (80.6%) was obtained in the reaction conducted at 200 °C for 3 h. The reusability of the catalyst was proofed after four times of reuse as its activity was maintained with a yield of 71.2%.

Journal of Solid State Chemistry published new progress about Ethanolysis. 539-88-8 belongs to class esters-buliding-blocks, name is Ethyl 4-oxopentanoate, and the molecular formula is C7H12O3, Application In Synthesis of 539-88-8.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Gu, Jing published the artcileEfficient transfer hydrogenation of biomass derived furfural and levulinic acid via magnetic zirconium nanoparticles: Experimental and kinetic study, Formula: C7H12O3, the main research area is furfural levulinic acid hydrogenation magnetic zirconium nanoparticle catalyst preparation.

A series of magnetic zirconium nanoparticles with varied Zr/Fe molar ratios were synthesized and developed as acid-base bifunctional catalysts in the catalytic transfer hydrogenation (CTH) of biomass-derived furfural (FFR) and levulinic acid (LA) using 2-propanol as both hydrogen donor and solvent. Zirconium constituents coated on nano-sized Fe3O4 endowed the catalysts with abundant acid-base sites, moderate surface areas (94.0-187.6 m2/g) and pore sizes (3.42-9.51 nm), thus giving nearly 100% yields of furfuryl alc. (FA) and γ-valerolactone (GVL) after 2 h of reaction. Particularly, competitive activation energy (Ea) for the CTH of FFR into FA over Zr1Fe1-300 was as low as 50.9 kJ/mol. Moreover, the easily separable nanocatalyst Zr1Fe1-150 was also applicable to CTH of various alkyl levulinates into GVL in high efficiency and could be reused for multiple cycles without obvious loss of its catalytic performance in the transfer hydrogenation of LA.

Industrial Crops and Products published new progress about Absorption. 539-88-8 belongs to class esters-buliding-blocks, name is Ethyl 4-oxopentanoate, and the molecular formula is C7H12O3, Formula: C7H12O3.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Manjunathan, Pandian published the artcileOne-pot fructose conversion into 5-ethoxymethylfurfural using a sulfonated hydrophobic mesoporous organic polymer as a highly active and stable heterogeneous catalyst, Computed Properties of 539-88-8, the main research area is fructose ethoxymethylfurfural organic polymer heterogeneous catalyst.

We report a sulfonated hydrophobic mesoporous organic polymer (MOP-SO3H) as a highly efficient heterogeneous catalyst for one-pot 5-ethoxymethylfurfural (EMF) production from fructose in ethanol solvent. MOP-SO3H was fabricated by co-polymerization of divinylbenzene (DVB) and sodium p-styrene sulfonate (SPSS) followed by ion exchange with dilute H2SO4, and its pore structure and acid d. could be tuned easily by varying the mole ratio of SPSS to DVB. 31P MAS NMR anal. using trimethylphosphine oxide as a base probe mol. indicated that MOP-SO3H possessed a weaker Bronsted acid site than conventional cation-exchange resins. The superhydrophobic properties of MOP-SO3H were retained even after incorporating a greater number of sulfonic acid groups into the polymer framework, while conventional solid acid resins exhibited hydrophilic properties. MOP-SO3H exhibited a superior catalytic performance in comparison with conventional acid resins, a mesoporous acid catalyst, and homogeneous acid catalysts in EMF production from fructose. After optimization of various reaction conditions using MOP-SO3H, a high EMF yield of 72.2% at 99.3% fructose conversion was achieved at 100°C in a very short reaction time of 5 h. Notably, MOP-SO3H showed a much higher EMF formation rate than the Amberlyst-15 catalyst (53.5 vs. 6.1μmol g-1 min-1). This superior performance of the MOP-SO3H catalyst was attributed to its unique feature of large surface area containing a large quantity of readily accessible acid sites distributed throughout the hydrophobic polymer framework. In addition to its high catalytic activity, the notable stability of the MOP-SO3H catalyst was also confirmed by leaching and recyclability tests. Thus, owing to its excellent catalytic performance and easy scalability, MOP-SO3H can potentially be used as an industrial heterogeneous catalyst to produce EMF from various fructose-containing biomass.

Catalysis Science & Technology published new progress about Absorption. 539-88-8 belongs to class esters-buliding-blocks, name is Ethyl 4-oxopentanoate, and the molecular formula is C7H12O3, Computed Properties of 539-88-8.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Srinivasa Rao, B. published the artcileDehydrative etherification of carbohydrates to 5-ethoxymethylfurfural over SBA-15-supported Sn-modified heteropolysilicate catalysts, COA of Formula: C7H12O3, the main research area is carbohydrate ethoxymethylfurfural silica tin heteropolysilicate catalyst dehydrative etherification.

Dehydration followed by the alcoholysis of glucose/fructose to 5-ethoxymethylfurfural (EMF) was carried out over SBA-15-supported tin-modified heteropolysilicate (SnSTA) catalysts. The physico-chem. properties of the catalysts were explored by X-ray diffraction, Fourier-transform IR spectroscopy (FT-IR), pyridine-adsorbed FT-IR spectroscopy, transmission electron microscopy (TEM), N2 physisorption, laser Raman and NH3 temperature-programmed desorption techniques. The characterization results confirmed that the Sn-exchanged STA species were productively embedded inside the pores of SBA-15 without disturbing the parent hexagonal structure. High conversion and selectivity towards EMF were achieved with 20 wt% Sn0.75STA on SBA-15. The high activity of the catalyst could be attributed to the well-dispersed intact Keggin Sn0.75STA on the support, which led to the generation of sufficient Bronsted and Lewis acidic sites. The influence of various reaction parameters such as catalyst weight, reaction temperature, and time was studied along with the stability and reusability of the catalyst.

Sustainable Energy & Fuels published new progress about Absorption. 539-88-8 belongs to class esters-buliding-blocks, name is Ethyl 4-oxopentanoate, and the molecular formula is C7H12O3, COA of Formula: C7H12O3.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Golubeva, Maria A. published the artcileSelective production of γ-valerolactone and ethyl valerate from ethyl levulinate using unsupported nickel phosphide, COA of Formula: C7H12O3, the main research area is valerolactone ethyl valerate levulinate nickel phosphide.

Unsupported nickel phosphide catalyst containing Ni2P phase was applied in the hydrodeoxygenation of Et levulinate in ethanol medium for the first time. The obtained catalyst was investigated by XRF, XRD, NH3-TPD, XPS and TEM techniques. γ-Valerolactone and Et valerate were obtained as the hydrodeoxygenation products. Varying the temperature and the reaction time it was possible to obtain these products with high selectivity. γ-Valerolactone was selectively formed at 200-250°C and Et valerate was selectively formed at temperatures of 300-350°C. Increase in reaction time was contributed to Et valerate formation. The highest selectivity of Et valerate was 100% at full Et levulinate conversion at 350°C after 6 h. 100% γ-Valerolactone selectivity was reached at low conversion of Et levulinate. The highest yield of γ-valerolactone reached 41.7% after 6 h of the reaction at 250°C. The selectivity of γ-valerolactone was 86.9% and the conversion of Et levulinate was 48.0%.

Applied Catalysis, A: General published new progress about Deoxidation. 539-88-8 belongs to class esters-buliding-blocks, name is Ethyl 4-oxopentanoate, and the molecular formula is C7H12O3, COA of Formula: C7H12O3.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Golubeva, Maria A. published the artcileHydroprocessing of furfural over in situ generated nickel phosphide based catalysts in different solvents, SDS of cas: 539-88-8, the main research area is nickel phosphide catalyst furfural hydrodeoxygenation solvent.

The present work is dedicated to the nickel phosphide based catalysts, containing particles, generated in situ in the reaction medium from the different catalytic systems. The present catalytic systems exhibited high activity in the hydroprocessing of furfural. Full conversion of furfural depending on conditions was reached after 0.5-3 h of reaction at 250-350°C. 2-methylfuran was obtained as a main product in toluene with the highest selectivity of 77%. Et levulinate and 2-methylfuran with selectivity of 40% and 38% resp. were obtained as main products in ethanol under different conditions. Different reaction medium and nickel phosphide precursors had an influence on the obtained phases of catalysts. Ni12P5 and Ni2P were obtained in toluene from oil-soluble precursors and Ni12P5 was obtained in ethanol from water-soluble precursors.

Applied Catalysis, A: General published new progress about Deoxidation. 539-88-8 belongs to class esters-buliding-blocks, name is Ethyl 4-oxopentanoate, and the molecular formula is C7H12O3, SDS of cas: 539-88-8.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Golubeva, M. A. published the artcileIn Situ Generated Nickel Phosphide Based Catalysts for Hydroprocessing of Levulinic Acid, Formula: C7H12O3, the main research area is nickel phosphide catalyst levulinic acid hydroconversion.

This article describes the production of unsupported nickel phosphide catalysts generated in situ in a reaction mixture from water-soluble and oil-soluble precursors during the hydroconversion of levulinic acid. These catalysts contain crystalline phases, specifically Ni12P5 and Ni(PO3)2. During the hydrogenation of levulinic acid in toluene in the presence of NiP-TOP, a lower temperature and a shorter reaction time contribute to the formation of γ-valerolactone (100% selectivity). A higher temperature and a longer reaction time favor the formation of valeric acid (94% selectivity). In the hydrogenation of levulinic acid in ethanol in the presence of NiP-H3PO2, the main reaction product is Et levulinate (95% selectivity).

Petroleum Chemistry published new progress about Deoxidation. 539-88-8 belongs to class esters-buliding-blocks, name is Ethyl 4-oxopentanoate, and the molecular formula is C7H12O3, Formula: C7H12O3.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Nedyalkova, Miroslava A. published the artcileCalculating the Partition Coefficients of Organic Solvents in Octanol/Water and Octanol/Air, Related Products of esters-buliding-blocks, the main research area is partition coefficient organic solvent octanol water octanol air calculation.

Partition coefficients define how a solute is distributed between two immiscible phases at equilibrium The exptl. estimation of partition coefficients in a complex system can be an expensive, difficult, and time-consuming process. Here a computational strategy to predict the distributions of a set of solutes in two relevant phase equilibrium is presented. The octanol/water and octanol/air partition coefficients are predicted for a group of polar solvents using d. functional theory (DFT) calculations in combination with a solvation model based on d. (SMD) and are in excellent agreement with exptl. data. Thus, the use of quantum-chem. calculations to predict partition coefficients from free energies should be a valuable alternative for unknown solvents. The obtained results indicate that the SMD continuum model in conjunction with any of the three DFT functionals (B3LYP, M06-2X, and M11) agrees with the observed exptl. values. The highest correlation to exptl. data for the octanol/water partition coefficients was reached by the M11 functional; for the octanol/air partition coefficient, the M06-2X functional yielded the best performance. To the best of our knowledge, this is the first computational approach for the prediction of octanol/air partition coefficients by DFT calculations, which has remarkable accuracy and precision.

Journal of Chemical Information and Modeling published new progress about Air. 539-88-8 belongs to class esters-buliding-blocks, name is Ethyl 4-oxopentanoate, and the molecular formula is C7H12O3, Related Products of esters-buliding-blocks.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics