Tag: M.W=0-100

The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 5-Methylfuran-2(3H)-one(SMILESS: O=C1OC(C)=CC1,cas:591-12-8) is researched.Related Products of 591-12-8. The article 《Mechanism study on asymmetric Michael addition reaction between alkynone and α-angelica lactone catalyzed by chiral N, N’-dioxide-Sc(III) complex》 in relation to this compound, is published in Catalysis Today. Let’s take a look at the latest research on this compound (cas:591-12-8).

The reaction mechanism and enantioselectivity of asym. Michael addition reaction between alkynone (R1) with α-angelica lactone (R2) catalyzed by chiral N, N’-dioxide-Sc(III) complex were investigated at the M06/6-31G(d,p) (acetonitrile, SMD) level. The α-angelica lactone substrate could isomerize to the active enolized form in the presence of Sc(OTf)3 reagent, assisted by the counter trifluoromethanesulfonate anion OTf-. The alkynone substrate and enolized angelica lactone (or its anion) coordinated to Sc(III) center of N,N’-dioxide-Sc(III) complex catalyst simultaneously, forming a high active hexacoordinate-Sc(III) complex. The catalytic reaction occurred via a two-step mechanism, in which C2-Cγ bond formation was predicted to be the chirality-controlling step as well as the rate-determining step, affording predominant S-enantiomer. The counterion OTf- facilitated C-H construction as a proton-shuttle, producing mainly E-configuration product observed in experiment The steric repulsion from the ortho-substituent of amide moiety as well as the chiral backbone of N, N’-dioxide-Sc(III) catalyst played the key role for chiral induction in the asym. reaction. The less destabilizing Pauli repulsion and more stabilizing attractive interaction, especially the orbital interaction, along the si-face attack pathway enhanced the enantiodifference of the two competing pathways for high enantioselectivity. The energy barriers for E/Z isomerization of S or R-enantiomer assisted by HOTf was as high as 34.6-35.0 kcal mol-1, indicating that the product with Z-conformation was difficult to be obtained. These results were in good agreement with exptl. observations.

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Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Application of 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 Antioxidant and antimicrobial study of Schefflera vinosa leaves crude extracts against rice pathogens.

Plant extracts are one of the best possible sources of bioactive mols., and are being used globally as an antioxidants and natural antimicrobial compounds In current study, Schefflera vinosa leaves extract was prepared through Soxhlet extraction procedure using methanol and chloroform as solvents. The extract was investigated for total antioxidant, phenolic and flavonoid contents, free radical scavenging and antimicrobial activities. The free radical scavenging activities were evaluated through 2,2- diphenyl-1-picrylhydrazyl (DPPH), 2,2-azino-bis-3-ethylbenzotiazolin-6-sulfonic acid (ABTS) and Ferric-reducing/ antioxidant power (FRAP) assay. The antimicrobial activity of extract was determined through poisoned food method. The methanolic extract has exhibited high antioxidant, phenolic, and flavonoid activities compared to chloroform extract Similarly, free radical scavenging activities (ABTS, DPPH and FRAP) were higher in methanolic extract Further, Fourier-Transform IR Spectroscopy (FTIR) used to determine the functional group and Gas chromatog.-mass spectrometry (GC-MS) to elucidate volatile composition of the crude extract Different functional group like N-H, O-H, C-O, C-N, C-H, C=O, C≃C and C-O-H presence indicate the existence of many metabolites in the extracts GC-MS study identified 61 compounds and subsequently, these mols. were screened virtually using DockThor. Furthermore, antimicrobial study was confirmed against rice pathogens like Magnaporthe oryzae (M. oryzae) and Xanthomonas oryzae pv. oryzae (Xoo). Mol. docking study further suggested that phytomols. (3-Isopropoxy-1,1,1,7,7,7-hexamethyl-3,5,5-tris (trimethylsiloxy) tetrasiloxane, and 2-Methoxy-5-methylthiophene) targets Histone Deacetylase (HDAC) of M. oryzae and Peptide Deformylase (PDF) of Xoo, which could inhibit their growth. Hence, this study indicated that Schefflera vinosa extracts could be an important ingredient as an antioxidant as well as antimicrobial agent against rice pathogens.

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Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Related Products of 591-12-8. 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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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, ACS Sustainable Chemistry & Engineering called Co-catalyzed Hydrogenation of Levulinic Acid to γ-Valerolactone under Atmospheric Pressure, Author is Liu, Zhenghui; Yang, Zhenzhen; Wang, Peng; Yu, Xiaoxiao; Wu, Yunyan; Wang, Huan; Liu, Zhimin, the main research direction is cobalt catalyzed hydrogenation levulinate gamma valerolactone atm pressure.Product Details of 591-12-8.

A cobalt-based catalytic system composed of Co(BF4)2·6H2O and ligand P(CH2CH2PPh2)3 was developed for hydrogenation of levulinic acid to γ-valerolactone (GVL), which showed high efficiency for this reaction, affording a GVL yield of 95% under atm. pressure and 100 °C. Co(BF4)2·6H2O combined with P(CH2CH2PPh2)3 is highly efficient for hydrogenation of levulinic acid to γ-valerolactone under atm. pressure.

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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 Online analysis of aerosol components of heated tobacco products by GC-MS, the main research direction is aerosol heated tobacco product GC MS.Safety of 5-Methylfuran-2(3H)-one.

In order to study the chem. composition of aerosols from heated tobacco products (HTPs) and to investigate the puff-by-puff release characteristics of aerosols from HTP samples, an online sampling device for HTP aerosols was developed by adopting a valve injection technique. Using this technique, HTP aerosols were directly introduced into gas chromatog.-mass spectrometry (GC-MS) by carrier gas (helium) through an inline heating transmission line without sample loss. The results showed that the online HTP aerosol anal. system had a stable performance and good reproducibility. The contents of acetone and 2-butanone determined in the aerosols of sample A by this method was in good accordance with the results reported by literature. With the proceeding of puffing, the releases of acetone and 2-butanone from the aerosols of sample B increased first and then decreased. This method is simple, efficient and suitable for the online anal. of the whole aerosols of HTPs and the puff-by-puff release characteristics of HTP aerosols.

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Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Synthetic Route of C5H6O2. 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 Efficient synthesis of niobium pentoxide nanowires and application in ethanolysis of furfuryl alcohol. Author is Zhang, Zhenwei; Wang, Peng; Wu, Zeying; Yue, Chuanjun; Wei, Xuejiao; Zheng, Jiwei; Xiang, Mei; Liu, Baoliang.

Nb2O5 nanowires with high sp. surface area and crystallinity were prepared by using ammonium oxalate and an acetic acid solvent system. The nanomaterial was applied in ethanolysis of furfuryl alc. (FA), and the yield of the product, 2-(ethoxymethyl)furan (FEE), achieved was up to 79.6%. Compared to mesoporous Nb2O5 materials and other porous materials, the residence time of FEE on the surface of the catalyst is shorter, and the yield of Et levulinate (EL) is lower. Furthermore, a high temperature calcination treatment can change the acid sites and acidity type distribution on the nanowire surface. By XRD, NH3O5 -TPD, IR, and TG-DTA determination methods, it was found that the weak and medium-strong acid sites on the surface of Nb2O5 nanowires were reduced after a 300°C treatment, and the amount of strong acid was relatively higher. According to the catalytic performance test data and acidity determination, it was concluded that more weak acid and medium-strong acid sites improve the conversion of furfuryl alc. to FEE, and the strong acid sites promote further conversion of FEE to EL.

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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 Study on the effect of dual solvent proportions on composition of Rosa x damascena concrete oil obtained using soxhlet extraction method, the main research direction is phenylethyl alc concrete oil soxhlet extraction Rosa damascena.Related Products of 591-12-8.

Concrete oil was extracted from Rosa x damascena using different percentage ratios of solvents (petroleum ether and ethanol) by the Soxhlet extraction method. The extraction was carried out using petroleum ether and ethanol in five different percentage ratios of (volume/volume) (100:0, 75:25, 50:50, 25:75, 0:100) (petroleum ether:ethanol). The rotary vacuum evaporator was used to sep. concrete oil and the solvents. The extracted concrete oil was analyzed using gas chromatog.-mass spectrometry (GC-MS) technique. The obtained results show that many new compounds were identified, at two different solvents and its ratios. Phenylethyl alc. in the percentages of (61.71%), (10.07%) and (25.92%) was obtained as a major compound with the solvent percentages of (100:0), (50:50) and (75:25) (PE:E), resp. Hexacosane (37.2%) was identified as a major compound when pure ethanol is used as a solvent. The highest number of components were identified (totally 93 components) when an equal percentage (50:50) of petroleum ether and ethanol were mixed. The usual monoterpenes components, e.g. geraniol, nerol, citronellol and linalool, were not found in the present extraction study. This study concludes that the compositions of concrete oil were mainly influenced by the type of solvents and its ratios used for the extraction

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Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, Quality Assurance and Safety of Crops & Foods called Nutritional value and volatiles of the edible mushroom Leucocalocybe mongolica, Author is Wang, X.; Bao, H.; Bau, T., which mentions a compound: 591-12-8, SMILESS is O=C1OC(C)=CC1, Molecular C5H6O2, Quality Control of 5-Methylfuran-2(3H)-one.

Leucocalocybe mongolica (S.Imai) X.D.Yu & Y.J.Yao is a rare edible wild mushroom that is highly regarded in northeast Asia. Owing to its desirable flavor and health attributes, L. mongolica is collected unscrupulously by indigenous peoples and mycophiles. In addition, its habitat is under constant threat from human activities, and the wild production continues to decline as it cannot keep pace with the rate of harvest. To date, no cultivation techniques that can produce L. mongolica have been discovered; however, utilizing fermentation technol. offers a promising alternative approach. In this study, the nutrients and volatile components of the products arising from two fermentation techniques were evaluated. Significant differences were observed between the fruiting bodies and the fermented products of L. mongolica with respect to protein, fat, and fiber contents. The results of gas chromatog.-mass spectrometry showed that 21 volatile components likely account for the flavor of basidiocarps. The two fermentation methods exhibited significant differences in terms of the enrichment of the different volatile compounds Comparison of the active components before and after solid-state fermentation on L. mongolica showed that the content of flavonoids, polysaccharides, triterpenoids, sterols, and phenols after solid-state fermentation was enhanced compared with the unleavened substrate. Given these results, solid-state fermentation technol. for L. mongolica appears to be a promising alternative to cultivation.

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Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Synthetic Route of C5H6O2. The protonation of heteroatoms in aromatic heterocycles can be divided into two categories: lone pairs of electrons are in the aromatic ring conjugated system; and lone pairs of electrons do not participate. 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. Author is Li, Shaopeng; Wang, Yanyan; Yang, Youdi; Chen, Bingfeng; Tai, Jing; Liu, Huizhen; Han, Buxing.

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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Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

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.Formula: C5H6O2.

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