Tag: M.W=0-100

In general, if the atoms that make up the ring contain heteroatoms, such rings become heterocycles, and organic compounds containing heterocycles are called heterocyclic compounds. An article called Experimental and modeling studies on the Ru/C catalyzed levulinic acid hydrogenation to γ-valerolactone in packed bed microreactors, published in 2020-11-01, which mentions a compound: 591-12-8, Name is 5-Methylfuran-2(3H)-one, Molecular C5H6O2, Electric Literature of C5H6O2.

The hydrogenation of levulinic acid (LA) to γ-valerolactone (GVL) was performed in perfluoroalkoxy alkane capillary microreactors packed with a carbon-supported ruthenium (Ru/C) catalyst with an average particle diameter of 0.3 or 0.45 mm. The reaction was executed under an upstream gas-liquid slug flow with 1,4-dioxane as the solvent and H2 as the hydrogen donor in the gas phase. Operating conditions (i.e., flow rate and gas to liquid flow ratio, pressure, temperature and catalyst particle size) were varied in the microreactor to determine the influence of mass transfer and kinetic characteristics on the reaction performance. At 130°C, 12 bar H2 and a weight hourly space velocity of the liquid feed (WHSV) of 3.0 gfeed/(gcat·h), 100% LA conversion and 84% GVL yield were obtained. Under the conditions tested (70-130°C and 9-15 bar) the reaction rate was affected by mass transfer, given the notable effect of the mixture flow rate and catalyst particle size on the LA conversion and GVL yield at a certain WHSV. A microreactor model was developed by considering gas-liquid-solid mass transfer therein and the reaction kinetics estimated from the literature correlations and data. This model well describes the measured LA conversion for varying operating conditions, provided that the internal diffusion and kinetic rates were not considered rate limiting. Liquid-solid mass transfer of hydrogen towards the external catalyst surface was thus found dominant in most experiments The developed model can aid in the further optimization of the Ru/C catalyzed levulinic acid hydrogenation in packed bed microreactors.

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Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: 5-Methylfuran-2(3H)-one( cas:591-12-8 ) is researched.Category: pyrimidines.Dohnal, Vladimir; Rehak, Karel; Moravek, Pavel published the article 《Thermal and Volumetric Properties of Five Lactones at Infinite Dilution in Water》 about this compound( cas:591-12-8 ) in Journal of Chemical & Engineering Data. Keywords: thermal volumetric property lactone infinite dilution water. Let’s learn more about this compound (cas:591-12-8).

Mixing enthalpies and densities of highly dilute aqueous solutions of five lactones (namely γ-butyrolactone (GBL), γ-valerolactone (GVL), α-angelica lactone (AAL), γ-hexalactone (GHL), and δ-hexalactone (DHL)) were measured as a function of solution composition at several temperatures in the range from (288.15 to 318.15) K using a tandem flow arrangement of isothermal mixing microcalorimeter and vibrating-tube densimeter. The densities of the neat lactones were measured, also. The dissolution of the lactones in water was exothermic (except for AAL at higher temperatures) and accompanied by volume contraction. On the basis of these systematic measurements, reliable values of partial molar excess enthalpy, partial molar volume, and partial molar excess volume of the studied solutes at infinite dilution in water were determined Precision of our measurements allowed us to evaluate with a good accuracy also resp. temperature derivative properties, i.e., infinite dilution partial molar excess heat capacity, expansion, and excess expansion. The observed thermodn. behavior was governed by hydrogen bonding of water mols. to the oxygen atoms of the lactone group. Several structural effects like those of the alkylation of lactone ring, its enlargement, the introduction of the double bond, and the lactone mol. volume on the determined properties were identified and rationalized on the mol. level.

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Pyrimidine | C4H4N2 – PubChem,
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Reference of 5-Methylfuran-2(3H)-one. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 5-Methylfuran-2(3H)-one, is researched, Molecular C5H6O2, CAS is 591-12-8, about Transfer Hydrogenation of Methyl and Ethyl Levulinate Promoted by a ZrO2 Catalyst: Comparison of Batch vs. Continuous Gas-Flow Conditions. Author is Tabanelli, Tommaso; Paone, Emilia; Blair Vasquez, Paola; Pietropaolo, Rosario; Cavani, Fabrizio; Mauriello, Francesco.

The catalytic conversion of Me and Et levulinates into γ-valerolactone (GVL) by using methanol, ethanol, and 2-propanol as the H-donor/solvent, promoted by the ZrO2 catalyst, is described as carried out under both batch and gas-flow conditions. Under batch conditions, 2-propanol was found to be the best H-donor mol., with Et levulinate giving the highest yield in GVL. The reactions occurring under continuous gas-flow conditions were found to be much more efficient, also showing excellent yields in GVL when EtOH was used as the reducing agent. These experiments clearly show that the ability to release hydrogen from the alc. H-donor/solvent is the main factor driving CTH processes, while the tendency to attack the esteric group is the key step in the formation of transesterification products.

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Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

In organic chemistry, atoms other than carbon and hydrogen are generally referred to as heteroatoms. The most common heteroatoms are nitrogen, oxygen and sulfur. Now I present to you an article called Catalyst-controlled regioselective nitrosocarbonyl aldol reaction of deconjugated butenolides, published in 2020-02-21, which mentions a compound: 591-12-8, mainly applied to heterofunctionalized butenolide regioselective preparation; deconjugated butenolide nitrosocarbonyl aldol, Related Products of 591-12-8.

An unprecedented regiodivergent nitrosocarbonyl aldol reaction of γ-substituted deconjugated butenolides was described. While Lewis base catalyst quinidine leveraged O-selective nitrosocarbonyl aldol reaction exclusively at the γ-position of deconjugated butenolides to produce γ-substituted-butenolides I [R = Me, n-Pr, PhCH2, etc.; R1 = t-BuO, OCH2CH=CH2, PhCH2O, 4-MeC6H4, etc.], Lewis acid catalyst Cu(OTf)2 steered the competitive N-selective nitrosocarbonyl aldol reaction at the β-position, resulting in hetero-β,γ-difunctionalized-butenolides II [R2 = Me, Ph, 4-MeC6H4CH2, PhCH2; R3 = t-Bu, PhCH2, 1-naphthyl, etc.]. Both processes were amenable to a broad range of substrates and scalable, while the latter one represented a rare example of one-pot hetero-β,γ-difunctionalization of butenolide scaffolds.

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Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Most of the natural products isolated at present are heterocyclic compounds, so heterocyclic compounds occupy an important position in the research of organic chemistry. A compound: 591-12-8, is researched, SMILESS is O=C1OC(C)=CC1, Molecular C5H6O2Journal, Journal of Catalysis called Investigation of solvent effects in the hydrodeoxygenation of levulinic acid to γ-valerolactone over Ru catalysts, Author is Mamun, Osman; Saleheen, Mohammad; Bond, Jesse Q.; Heyden, Andreas, the main research direction is levulinic acid hydrodeoxygenation valerolactone ruthenium catalyst solvent effect.Reference of 5-Methylfuran-2(3H)-one.

Liquid phase, reductive deoxygenation of biomass derived platform chems. over transition metal surfaces constitutes an efficient scheme for upgrading lignocellulosic biomass. The solvation effects on the reaction kinetics of the hydrodeoxygenation (HDO) of levulinic acid (LA) towards the formation of γ-valerolactone (GVL) over Ru(0 0 0 1) has been studied in three condensed phase media, i.e., liquid water, methanol, and 1,4-dioxane. Detailed microkinetic models have been developed incorporating various catalytic pathways including formation of 4-hydroxypentanoic acid (HPA) and α-angelicalactone (AGL) to simulate the catalytic activity of Ru(0 0 0 1) under various reaction conditions of solvent, temperature, and partial pressures. Our microkinetic models suggest that direct catalytic conversion with alkoxy formation is the preferred reaction mechanism in all reaction environments. Furthermore, we find that water facilitates the reaction kinetics significantly and that the solvent effect is strongest at lower temperatures (T < 373 K). Here, rate increases due to liquid water solvation effects of 2-4 orders of magnitude are observed All solvents increase the rate of reaction relative to the gas phase; however, solvation effects decrease with decrease in polarity. 1,4-dioxane increases the rate only minimally due to competitive adsorption of the solvent mols. despite facilitating the partially rate controlling step of the LA hydrogenation to an alkoxy intermediate. If you want to learn more about this compound(5-Methylfuran-2(3H)-one)Reference of 5-Methylfuran-2(3H)-one, you may wish to communicate with the author of the article,or consult the relevant literature related to this compound(591-12-8).

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Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Name: 5-Methylfuran-2(3H)-one. So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic. Compound: 5-Methylfuran-2(3H)-one, is researched, Molecular C5H6O2, CAS is 591-12-8, about Catalytic co-pyrolysis of seaweeds and cellulose using mixed ZSM-5 and MCM-41 for enhanced crude bio-oil production.

Catalytic co-pyrolysis of seaweed Enteromorpha clathrata (EN) and cellulose (CEL) with catalysts ZSM-5 and MCM-41 was investigated by TG, Py-GC/MS and fixed-bed experiments The effects of temperature, catalysts, seaweed and cellulose ratio were examined on product yields distribution and bio-oil compositions by catalytic co-pyrolysis. The maximum bio-oil yield was recorded at the ratio of 1:1 (EN and CEL) with ZSM-5/MCM-41 at 500°C on co-pyrolytic process. The interaction of radicals and faster heat transfer rate of EN/CEL induces the synergistic effects with catalysts. The advantage of mesoporous mol. sieve along with acidic microporous zeolite of ZSM-5/MCM-41 improved the cracking, dehydration, decarbonylation, decarboxylation, dealkylation, aromatization, oligomerization and deamination reactions. The overall study revealed that the amount of N-containing compounds were decreased and significantly elevated bio-oil production with increased furans and aromatics

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Pyrimidine | C4H4N2 – PubChem,
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In organic chemistry, atoms other than carbon and hydrogen are generally referred to as heteroatoms. The most common heteroatoms are nitrogen, oxygen and sulfur. Now I present to you an article called Study of the Synchrotron Photoionization Oxidation of Alpha-Angelica Lactone (AAL) Initiated by O(3P) at 298, 550, and 700 K, published in 2021, which mentions a compound: 591-12-8, mainly applied to alpha angelica lactone synchrotron photoionization oxidation radiation; biofuel; multiplexed mass spectrometry; oxidation; reaction pathways; synchrotron photoionization, COA of Formula: C5H6O2.

In recent years, biofuels have been receiving significant attention because of their potential for decreasing carbon emissions and providing a long-term renewable solution to unsustainable fossil fuels. Currently, lactones are some of the alternatives being produced. Many lactones occur in a range of natural substances and have many advantages over bioethanol. In this study, the oxidation of alpha-angelica lactone initiated by ground-state at. oxygen, O(3P), was studied at 298, 550, and 700 K using synchrotron radiation coupled with multiplexed photoionization mass spectrometry at the Lawrence Berkeley National Lab (LBNL). Photoionization spectra and kinetic time traces were measured to identify the primary products. Ketene, acetaldehyde, Me vinyl ketone, methylglyoxal, di-Me glyoxal, and 5-methyl-2,4-furandione were characterized as major reaction products, with ketene being the most abundant at all three temperatures Possible reaction pathways for the formation of the observed primary products were computed using the CBS-QB3 composite method.

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Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

In organic chemistry, atoms other than carbon and hydrogen are generally referred to as heteroatoms. The most common heteroatoms are nitrogen, oxygen and sulfur. Now I present to you an article called Humins with Efficient Electromagnetic Wave Absorption: A By-Product of Furfural Conversion to Isopropyl Levulinate via a Tandem Catalytic Reaction in One-Pot, published in 2021-09-01, which mentions a compound: 591-12-8, mainly applied to humin electromagnetic wave absorption furfural isopropyl levulinate tandem catalysis; biomass conversion; by-product; catalysis; electromagnetic wave absorption; nano-porous carbon, Formula: C5H6O2.

Both one-pot catalytic conversion of furfural (FAL) to iso-Pr levulinate (PL) and carbonization of byproduct (humins) for electromagnetic wave absorption are discussed, which provides inspiration that humins can be applied to electromagnetic wave absorption. In the former, phosphotungstic acid (PW) is employed as a homogeneous catalyst to convert FAL to PL via a tandem reaction in one pot, with the formation of a vast amount of humins. With FAL and various intermediates as substrates, it was found that humins was a polymerization product of FAL, furfuryl alc. (FOL) and furfuryl ester (FE) with furan rings. In addition, the in situ attenuated total reflection IR (ATR-IR) spectra also provided a basis for the proposed reaction route. In the latter, with the humins as raw material, P species and WO3 doped nano-porous carbon (Humins-700) platform formed after high-temperature annealing is used for electromagnetic wave absorption and manifests desirable absorption performance. The min. reflection loss (RLmin) value is -47.3 dB at 13.0 GHz with a thickness of 2.0 mm and the effective absorption bandwidth reaches 4.5 GHz (11.2-5.7 GHz).

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Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Rezaei, Golbon; Meloni, Giovanni published the article 《Study of the Synchrotron Photoionization Oxidation of Alpha-Angelica Lactone (AAL) Initiated by O(3P) at 298, 550, and 700 K》. Keywords: alpha angelica lactone synchrotron photoionization oxidation radiation; biofuel; multiplexed mass spectrometry; oxidation; reaction pathways; synchrotron photoionization.They researched the compound: 5-Methylfuran-2(3H)-one( cas:591-12-8 ).Product Details of 591-12-8. Aromatic heterocyclic compounds can be divided into two categories: single heterocyclic and fused heterocyclic. In addition, there is a lot of other information about this compound (cas:591-12-8) here.

In recent years, biofuels have been receiving significant attention because of their potential for decreasing carbon emissions and providing a long-term renewable solution to unsustainable fossil fuels. Currently, lactones are some of the alternatives being produced. Many lactones occur in a range of natural substances and have many advantages over bioethanol. In this study, the oxidation of alpha-angelica lactone initiated by ground-state at. oxygen, O(3P), was studied at 298, 550, and 700 K using synchrotron radiation coupled with multiplexed photoionization mass spectrometry at the Lawrence Berkeley National Lab (LBNL). Photoionization spectra and kinetic time traces were measured to identify the primary products. Ketene, acetaldehyde, Me vinyl ketone, methylglyoxal, di-Me glyoxal, and 5-methyl-2,4-furandione were characterized as major reaction products, with ketene being the most abundant at all three temperatures Possible reaction pathways for the formation of the observed primary products were computed using the CBS-QB3 composite method.

If you want to learn more about this compound(5-Methylfuran-2(3H)-one)Product Details of 591-12-8, you may wish to communicate with the author of the article,or consult the relevant literature related to this compound(591-12-8).

Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

In general, if the atoms that make up the ring contain heteroatoms, such rings become heterocycles, and organic compounds containing heterocycles are called heterocyclic compounds. An article called Vapor-phase hydrogenation of levulinic acid to γ-valerolactone over Cu-Ni alloy catalysts, published in 2021-04-25, which mentions a compound: 591-12-8, Name is 5-Methylfuran-2(3H)-one, Molecular C5H6O2, Name: 5-Methylfuran-2(3H)-one.

Vapor-phase hydrogenation of levulinic acid (LA) to γ-valerolactone (GVL) was investigated over supported-type Cu-Ni/Al2O3 catalysts in H2 flow at 250°C. Ni-rich Cu-Ni/Al2O3 catalysts, typically 6 weight% Cu and 14 weight% Ni, achieved high LA conversion with high stability and high GVL selectivity. XRD analyses of the catalysts clarified that Cu-Ni alloy nanoparticles were produced on the alumina support by forming a solid solution of CuO-NiO. The Cu-Ni/Al2O3 catalyst showed the highest GVL productivity of 11.0 kg kg-1cat h-1 with a selectivity of 98.6%, although the catalyst was gradually deactivated with time on stream under high space velocity conditions. In the characterization of the used catalysts, the catalyst deactivation would be caused by the sintering of active Cu-Ni alloy nanoparticles, which could be induced by the cycle of the oxidation with H2O and the reduction with H2.

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Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia