Day: April 2, 2022

Epoxy compounds usually have stronger nucleophilic ability, because the alkyl group on the oxygen atom makes the bond angle smaller, which makes the lone pair of electrons react more dissimilarly with the electron-deficient system. Compound: 5-Methylfuran-2(3H)-one, is researched, Molecular C5H6O2, CAS is 591-12-8, about Catalyst-controlled regioselective nitrosocarbonyl aldol reaction of deconjugated butenolides.Category: pyrimidines.

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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Related Products of 591-12-8. 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 Furfural hydrogenation, hydrodeoxygenation and etherification over MoO2 and MoO3: A combined experimental and theoretical study. Author is Kojcinovic, Aleksa; Kovacic, Zan; Hus, Matej; Likozar, Blaz; Grilc, Miha.

Valorization of lignocellulosic biomass, particularly catalytic hydrotreatment of hemicellulose-based furfural (FUR), has been studied for the production of value-added chems. A three-phase batch reactor has been used for hydrotreatment in isopropanol over various com. available unsupported MoOx catalysts, at various temperatures (170-230°C), pressures (0-80 bar H2), catalyst loadings (0-2 weight%), and reactant concentrations (5-20 weight%). No significant difference in catalytic activity or selectivity has been observed among the three different MoO3 and one MoO2 catalysts, while NiMo/Al2O3, Mo2C and WO3 were much less active. Data-points collected have been used to propose a detailed reaction pathway network for a micro-kinetic model, which also took into consideration the thermodn., and adsorption, desorption, and surface reaction kinetics. The alcoholysis of FUR yielded valuable iso-Pr levulinate (IPL) as the major product under all tested reaction conditions, while other value-added compounds (furfuryl alc., iso-Pr furfuryl ether, furfuryl acetone, angelica lactone) were observed in smaller quantities. It was found that neither the presence nor the absence of the gaseous H2 pressure contributes to the global reaction rate, or selectivity, since the solvent acts as a sufficient hydrogen donor. Addnl., d. functional theory (DFT) calculations provided further insight into the active planes present by the implementation of the Wulff construction. Furthermore, the reaction mechanism was explained based on reaction energies, which were in silico determined and compared for several surfaces. The results were consistent with the characterization and activity-testing results. The furfural ring-opening reaction, yielding valuable IPL in the absence of gaseous H2, over a cheap bulk MoOx is reported for the first time.

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Hommes, Arne; ter Horst, Arie Johannes; Koeslag, Meine; Heeres, Hero Jan; Yue, Jun published an article about the compound: 5-Methylfuran-2(3H)-one( cas:591-12-8,SMILESS:O=C1OC(C)=CC1 ).HPLC of Formula: 591-12-8. Aromatic heterocyclic compounds can be classified according to the number of heteroatoms or the size of the ring. The authors also want to convey more information about this compound (cas:591-12-8) through the article.

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,
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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.Computed Properties of C5H6O2.Dell’Acqua, Andrea; Stadler, Bernhard M.; Kirchhecker, Sarah; Tin, Sergey; de Vries, Johannes G. published the article 《Scalable synthesis and polymerization of a β-angelica lactone derived monomer》 about this compound( cas:591-12-8 ) in Green Chemistry. Keywords: angelica lactone monomer ROMP film property. Let’s learn more about this compound (cas:591-12-8).

Bio-based levulinic acid is easily ring-closed to α-angelica lactone (α-AL). The α-AL can be isomerized to the conjugated β-AL under the influence of base, but since this is an equilibrium mixture it is very hard to devise a scalable process that would give pure β-AL. This problem was circumvented by distilling the equilibrium mixture to obtain a 90 : 10 mixture of β- and α-AL in 88% yield. This mixture was used for Diels-Alder reactions on 3 terpenes and on cyclopentadiene in up to 100 g scale. The latter DA adduct was subjected to a ROMP reaction catalyzed by the Grubbs II catalyst. The resulting polymer has some similarities to poly-norbornene but is more polar. The polymer can be processed into films with very good transparency.

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Pyrimidine | C4H4N2 – PubChem,
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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.Robichaux, Laura; Kendell, Shane published the article 《Mechanistic insights into furfuryl alcohol based biofuel production over phosphotungstate catalysts》 about this compound( cas:591-12-8 ) in Reaction Kinetics, Mechanisms and Catalysis. Keywords: furfuryl alc phosphotungstate catalyst alkylation charge transfer. Let’s learn more about this compound (cas:591-12-8).

A one-step direct alkylation method for synthesizing Bu levulinate from Bu alc. and furfuryl alc. has been explored. This process is carried out under reflux, at ∼ 120 °C for 2 h and utilizes a catalyst. Catalysts are based on phosphotungstic acid; the catalysts are modified via cation exchange, producing several cesium, copper and silver based phosphotungstates. Of these, the greatest activity and selectivity towards Bu levulinate was achieved over the Cu0.5H2[PW12O40] catalyst, with 100% conversion and a Bu levulinate selectivity of 69%. Various side reactions are also observed, with products that may also be suitable for biofuel applications. A detailed product anal. has been performed, and likely reaction schemes for these products have been determined Overall, these results demonstrate an efficient method for Bu levulinate production from biomass-derived sources.

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Pyrimidine | C4H4N2 – PubChem,
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Epoxy compounds usually have stronger nucleophilic ability, because the alkyl group on the oxygen atom makes the bond angle smaller, which makes the lone pair of electrons react more dissimilarly with the electron-deficient system. Compound: 5-Methylfuran-2(3H)-one, is researched, Molecular C5H6O2, CAS is 591-12-8, about Conversion of levulinic acid to γ-valerolactone over ultra-thin TiO2 nanosheets decorated with ultrasmall Ru nanoparticle catalysts under mild conditions.HPLC of Formula: 591-12-8.

Herein, we demonstrate that quantum-sized Ru dot decorated ultra-thin anatase TiO2 nanosheets with exposed (001) facets could exhibit highly efficient catalytic activity during the conversion of levulinic acid to γ-valerolactone at room temperature The support effect has been largely attributed to the high energy of TiO2 (001) which can lead to a stronger interaction between the support and the metal. The surface of Ru/TiO2-n contains more Ru(0) and results in higher activity and selectivity.

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Nam, Tae-gyu; Ku, Jin-Mo; Rector, Christopher L.; Choi, Hoyoung; Porter, Ned A.; Jeong, Byeong-Seon published the article 《Pyridoxine-derived bicyclic aminopyridinol antioxidants: synthesis and their antioxidant activities》. Keywords: bicyclic aminopyridinol derivative preparation antioxidant activity.They researched the compound: 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride( cas:148-51-6 ).COA of Formula: C8H12ClNO2. 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:148-51-6) here.

A few facile synthetic pathway for bicyclic aminopyridinol antioxidants are presented. Attachment of a long alkyl chain to the bicyclic pyridinol scaffold was established using an ester linkage. Non-substituted pyrrolopyridinols and 1,3-oxazine-fused pyridinols were also synthesized as novel antioxidant scaffolds. Antioxidant activities were measured by a radical clock method and new compounds prepared are comparable to the best bicyclic aminopyridinol antioxidants.

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Pyrimidine | C4H4N2 – PubChem,
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Formula: C5H6O2. 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 Stereoconvergent Conjugate Addition of Arylboronic Acids to α-Angelica Lactone Derivatives: Synthesis of Stereochemically Complex γ-Butyrolactones. Author is Griswold, Jessica A.; Johnson, Jeffrey S..

Catalyzed stereoconvergent 1,4-additions to unsaturated carbonyls are rare but of high potential value. This letter details the development of enantioselective arylation reactions of boronic acids and β,γ-butenolides. These reactions are catalyzed by com. available hydroxy[(S)-BINAP]-rhodium(I) dimer to afford stereochem. complex γ-butyrolactone derivatives The reaction products provide functionality amenable to further manipulation and can lead to products with up to three contiguous stereocenters. The reaction proceeds under a dynamic kinetic resolution manifold by isomerizing the achiral starting material into an interconverting mixture of enantiomeric conjugate acceptors, followed by catalyst-controlled, enantiomer-selective 1,4-additionBase-promoted racemization of the intermediate α,β-butenolide is possible due to the high kinetic and thermodn. acidity of the γ-proton.

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Pyrimidine | C4H4N2 – PubChem,
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Product Details of 148-51-6. 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-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride, is researched, Molecular C8H12ClNO2, CAS is 148-51-6, about Seizures induced by allylglycine, 3-mercaptopropionic acid, and 4-deoxypyridoxine in mice and photosensitive baboons, and different modes of inhibition of cerebral glutamic acid decarboxylase. Author is Horton, R. S.; Meldrum, B. S..

The title drugs caused seizures in mice (i.p.) and baboons (i.v.) and, at subconvulsant levels, enhanced photo-induced seizures in baboons. Addition of pyridoxal phosphate [54-47-7] to mouse brain homogenate relieved inhibition of L-glutamate 1-carboxylase [9074-87-7] by 4-deoxypyridoxine-HCl [148-51-6] but not by DL-allylglycine [7685-44-1]. 3-Mercaptopropionic acid [107-96-0] was the most powerful competitive inhibitor of the enzyme.

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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.SDS of cas: 591-12-8.Wang, Jingru; Zhu, Shanhui; Wang, Yunwei; Wang, Yingyong; Jin, Guoqiang; Tong, Xili; Guo, Xiangyun published the article 《Enhanced activity of Ru-Ir nanoparticles over SiC for hydrogenation of levulinic acid at room-temperature》 about this compound( cas:591-12-8 ) in Materials Research Bulletin. Keywords: ruthenium iridium silicon carbide nanoparticle hydrogenation levulinic acid. Let’s learn more about this compound (cas:591-12-8).

The hydrogenation of levulinic acid (LA) to γ-valerolactone (GVL) under mild condition is a promising but challenging process. Herein, SiC supported Ru-Ir bimetallic catalyst exhibit enhanced catalytic activity for aqueous hydrogenation of LA into GVL under mild conditions. Comparing with monometallic Ir3/SiC and Ru3/SiC, the conversion of LA over bimetallic Ru0.5-Ir2.5/SiC catalyst increase from 51.2% and 45.9% to 100% at 25°C and 0.2 MPa of H2 pressure. The enhanced catalytic activity of Ru0.5-Ir2.5/SiC catalyst originates from the electronic synergistic effect among Ru, Ir and SiC. Due to the electron transfer, electron-richened Ir nanoparticles show stronger ability for H2 dissociation, and the SiC surface produces more active sites to accommodate hydrogen species that spill over from Ir and Ru. The adsorption and hydrogenation of LA mols. occur on the surface of SiC.

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