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 Microwave-assisted catalytic upgrading of bio-based furfuryl alcohol to alkyl levulinate over commercial non-metal activated carbon, published in 2020-01-31, which mentions a compound: 591-12-8, Name is 5-Methylfuran-2(3H)-one, Molecular C5H6O2, Computed Properties of C5H6O2.

A cheap and com. available non-metal activated carbon (AC) as an efficient catalyst for the alcoholysis of furfuryl alc. (FA) to alkyl levulinate (AL) under microwave assistance was firstly investigated. The catalyst gave an impressive Me levulinate (ML) yield of 78% in only 5 min at 170 °C in the presence of FA (0.2 M, 3 mL) and AC (100 mg). Various reaction parameters in dependence of time such as temperature, catalyst and feedstock loadings as well as solvent types have been optimized. The re-utilization experiments of the catalyst showed that the activity related to the acidic groups of the catalysts, and the deactivation was due to the leaching of acidic specie, which was easily extracted by the solvent. Note that extremely low concentration of the active species extracted from AC (less than 1 wt %) could also give 62% ML yield. The present study provided a promising way for AL synthesis over cheap, com. available and environmentally benign catalyst.

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Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Synthetic Route of C5H6O2. 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 Understanding the Origin of Maleic Anhydride Selectivity during the Oxidative Scission of Levulinic Acid.

Biomass-derived levulinic acid (LA) is a green platform chem., and we have previously reported an oxidative scission pathway that selectively transforms it into maleic anhydride (MA). This reaction is curious because it requires oxidative scission of the terminal (methyl) carbon in levulinic acid, whereas gas-phase Me ketone oxidations are typically selective toward internal (alkyl) bond scission. In order to probe the origin of this disparity, we consider trends observed during the oxidative scission of ketones, keto acids, and keto acid analogs, and we highlight influences of steric hindrances, α-carbon substitution, and the presence of a secondary carboxylic acid functionality. We further consider the role of cyclic intermediates, namely Angelica lactones, in mediating selectivity during the oxidative scission of levulinic acid. Our kinetic anal. is supported by FTIR spectroscopy, which reveals the formation of hydrogen-deficient surface intermediates prior to the onset of oxidative scission. Finally, we pair short-contact-time selectivity anal. with GCMS and NMR spectroscopy to identify a previously undisclosed reaction intermediate-protoanemonin-that forms during the oxidative scission of levulinic acid and α-Angelica lactone. We conclude that facile oxidative dehydrogenation of β-Angelica lactone to form protoanemonin is the major driving force for the high selectivity toward Me scission during levulinic acid oxidation We also note that protoanemonin is an intriguing polyfunctional mol. that appears well-suited to bio-based production, and we have observed that it can be synthesized in yields from 55% to 75% (albeit at low concentration presently) during periods of transient reactor operation.

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Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Recommanded Product: 591-12-8. 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 Thermal and Volumetric Properties of Five Lactones at Infinite Dilution in Water.

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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Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Quality Control of 5-Methylfuran-2(3H)-one. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: 5-Methylfuran-2(3H)-one, is researched, Molecular C5H6O2, CAS is 591-12-8, about A Predictive Strategy Based on Volatile Profile and Chemometric Analysis for Traceability and Authenticity of Sugarcane Honey on the Global Market. Author is Silva, Pedro; Freitas, Jorge; Nunes, Fernando M.; Camara, Jose S..

Sugarcane honey (SCH) is a syrup produced on Madeira Island and recognized by its unique aroma, a complex attribute of quality with an important influence on the final consumer’s acceptance of the product, and determined by a complex mixture of a large number of volatile organic compounds (VOCs) generated during its traditional making process and storage. Therefore, the purpose of this study was to establish the volatile profile of genuine SCH produced by a regional certified producer for seven years and compare it with syrups from non-certified regional producers and with producers from different geog. regions (Spain, Egypt, Brazil and Australia), as a powerful strategy to define the volat. fingerprint of SCH. Different volatile profiles were recognized for all samples, with 166 VOCs being identified belonging to different chem. classes, including furans, ketones, carboxylic acids, aldehydes and alcs. Chemometric anal. allowed (i) the differentiation between all syrups, being more pronounced between SCH and other syrups; and (ii) the identification of 32 VOCs as potential markers for the traceability and authenticity of SCH on the global market.

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Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: 5-Methylfuran-2(3H)-one, is researched, Molecular C5H6O2, CAS is 591-12-8, about Inverse-Electron-Demand Palladium-Catalyzed Asymmetric [4+2] Cycloadditions Enabled by Chiral P,S-Ligand and Hydrogen Bonding, the main research direction is enantioselective diastereoselective inverse electron demand palladium catalyzed cycloaddition; chiral phosphorus sulfur ligand palladium catalyzed asym cycloaddition; hydrogen bonding palladium catalyzed asym cycloaddition; P,S ligand; cycloaddition; heterocycles; hydrogen bonding; palladium.Related Products of 591-12-8.

Catalytic asym. cycloadditions of ambident Pd-containing dipolar species with nucleophilic dipolarophiles, namely, inverse-electron-demand cycloadditions, are challenging and underdeveloped. Possibly, the inherent linear selectivity of Pd-catalyzed intermol. allylations and the lack of efficient chiral ligands are responsible for this limitation. Herein, two cycloadditions of such intermediates with deconjugated butenolides and azlactones were accomplished by using a novel chiral hybrid P,S-ligand and hydrogen bonding [e.g., vinyl carbamate I + butenolide II → dihydroquinol-2-one III (92%, 93% ee, >95:5 d.r.)]. By doing so, highly functionalized, optically active dihydroquinol-2-ones were produced with generally high reaction efficiencies and selectivities. Preliminary DFT calculations were performed to explain the high enantio- and diastereoselectivities.

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Reference:
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.Product Details of 591-12-8.Klapper, Martin; Schlabach, Kevin; Paschold, Andre; Zhang, Shuaibing; Chowdhury, Somak; Menzel, Klaus-Dieter; Rosenbaum, Miriam A.; Stallforth, Pierre published the article 《Biosynthesis of Pseudomonas-Derived Butenolides》 about this compound( cas:591-12-8 ) in Angewandte Chemie, International Edition. Keywords: Pseudomonas butenolide styrolide acaterin biosynthesis genome sequence; Pseudomonas; biosynthesis; butenolides; natural products. Let’s learn more about this compound (cas:591-12-8).

Butenolides are well-known signaling mols. in Gram-pos. bacteria. Here, we describe a novel class of butenolides isolated from a Gram-neg. Pseudomonas strain, the styrolides. Structure elucidation was aided by the total synthesis of styrolide A. Transposon mutagenesis enabled us to identify the styrolide biosynthetic gene cluster, and by using a homol. search, we discovered the related and previously unknown acaterin biosynthetic gene cluster in another Pseudomonas species. Mutagenesis, heterologous expression, and identification of key shunt and intermediate products were crucial to propose a biosynthetic pathway for both Pseudomonas-derived butenolides. The Whole Genome Shotgun project for P. fluorescens HKI0874 has been deposited at DDBJ/ENA/GenBank under the accession VCNJ00000000.

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Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Recommanded Product: 5-Methylfuran-2(3H)-one. The reaction of aromatic heterocyclic molecules with protons is called protonation. Aromatic heterocycles are more basic than benzene due to the participation of heteroatoms. Compound: 5-Methylfuran-2(3H)-one, is researched, Molecular C5H6O2, CAS is 591-12-8, about Access to chiral γ-butenolides via palladium-catalyzed asymmetric allylic C-H alkylation of 1,4-dienes. Author is Dai, Zhen-Yao; Wang, Pu-Sheng; Gong, Liu-Zhu.

Allylic C-H alkylation of 1,4-pentadienes with α-angelica lactones has been developed by tri-axial phosphoramidite-palladium catalysis. This reaction can tolerate a range of functional groups under mild conditions, furnishing versatile chiral γ,γ-disubstituted butenolides I (R = Me, i-Pr, Cy, etc.; Ar = C6H5, 4-MeC6H4, 4-FC6H4, etc.) in high yields with good to high levels of stereoselectivity.

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Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Computed Properties of C5H6O2. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 5-Methylfuran-2(3H)-one, is researched, Molecular C5H6O2, CAS is 591-12-8, about Lewis-Pair-Mediated Selective Dimerization and Polymerization of Lignocellulose-Based β-Angelica Lactone into Biofuel and Acrylic Bioplastic. Author is Wang, Xiao-Jun; Hong, Miao.

This contribution reports an unprecedentedly efficient dimerization and the first successful polymerization of lignocellulose-based β-angelica lactone (β-AL) by utilizing a selective Lewis pair (LP) catalytic system, thereby establishing a versatile bio-refinery platform wherein two products, including a dimer for high-quality gasoline-like biofuel (C8-C9 branched alkanes, yield=87%) and a heat- and solvent-resistant acrylic bioplastic (Mn up to 26.0 kg mol-1), can be synthesized from one feedstock by one catalytic system. The underlying reason for exquisite selectivity of the LP catalytic system toward dimerization and polymerization was explored mechanistically.

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Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Recommanded Product: 591-12-8. 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 Vapor-phase hydrogenation of levulinic acid to γ-valerolactone over Cu-Ni alloy catalysts. Author is Yanase, Daichi; Hara, Takayoshi; Sato, Fumiya; Yamada, Yasuhiro; Sato, Satoshi.

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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Reference:
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.Product Details of 591-12-8.McPartlin, Michael W.; Italiano, Brandon R.; Tiano, Thomas M.; Pilkenton, Sarah J.; Lawton, Timothy J. published the article 《An approach to identifying fibers and evolved compounds from flame resistant fabrics》 about this compound( cas:591-12-8 ) in Journal of Analytical and Applied Pyrolysis. Keywords: flame resistant fabric fiber evolved compound identification. Let’s learn more about this compound (cas:591-12-8).

Flame resistant (FR) fabrics have use in civilian, military, and industrial applications. This work describes the development of a methodol. aimed at identifying the fiber composition of blended fabrics of unknown composition Here, FR fabrics used in military uniforms, are studied using a combination of XPS, isothermal thermogravimetric anal. (TGA) and pyrolysis gas chromatog./mass spectrometry (Py-GC-MS). Elemental anal. of the fabrics using XPS yielded a preliminary determination of the composition of the polymer(s) and aided in the identification of FR additives. TGA and Py-GC-MS experiments were used for subsequent compound identification. In TGA the temperature of mass loss events was compared to reference materials, and in Py-GC-MS the pyrolysis products of the blended FR fabrics were compared to those from a series of potential parent fibers. It was possible to discern the composition of the parent fibers and the type of FR treatment added to fabrics because the thermal decomposition chem. did not significantly change by blending the fibers to make fabrics.

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Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia