Category: oxazolidine

Messias Monteiro, Alex France published the artcileIn Silico Studies for Bacterystic Evaluation against Staphylococcus aureus of 2-Naphthoic Acid Analogues, Recommanded Product: (R)-3-(3-Fluoro-4-(1-methyl-5,6-dihydro-1,2,4-triazin-4(1H)-yl)phenyl)-5-(hydroxymethyl)oxazolidin-2-one, the publication is Current Topics in Medicinal Chemistry (Sharjah, United Arab Emirates) (2020), 20(4), 293-304, database is CAplus and MEDLINE.

Staphylococcus aureus is a gram-pos. spherical bacterium commonly present in nasal fossae and in the skin of healthy people; however, in high quantities, it can lead to complications that compromise health. The pathologies involved include simple infections, such as folliculitis, acne, and delay in the process of wound healing, as well as serious infections in the CNS, meninges, lung, heart, and other areas. This research aims to propose a series of mols. derived from 2-naphthoic acid as a bioactive in the fight against S. aureus bacteria through in silico studies using mol. modeling tools. A virtual screening of analogs was done in consideration of the results that showed activity according to the prediction model performed in the KNIME Analytics Platform 3.6, violations of the Lipinski rule, absorption rate, cytotoxicity risks, energy of binder-receptor interaction through mol. docking, and the stability of the best profile ligands in the active site of the proteins used (PDB ID 4DXD and 4WVG). Seven of the 48 analogs analyzed showed promising results for bactericidal action against S. aureus. It is possible to conclude that ten of the 48 compounds derived from 2-naphthoic acid presented activity based on the prediction model generated, of which seven presented no toxicity and up to one violation to the Lipinski rule.

Current Topics in Medicinal Chemistry (Sharjah, United Arab Emirates) published new progress about 1219707-39-7. 1219707-39-7 belongs to oxazolidine, auxiliary class Other Aliphatic Heterocyclic,Oxazolidine,Chiral,Fluoride,Benzene,Amide,Alcohol,Anti-infection, name is (R)-3-(3-Fluoro-4-(1-methyl-5,6-dihydro-1,2,4-triazin-4(1H)-yl)phenyl)-5-(hydroxymethyl)oxazolidin-2-one, and the molecular formula is C14H17FN4O3, Recommanded Product: (R)-3-(3-Fluoro-4-(1-methyl-5,6-dihydro-1,2,4-triazin-4(1H)-yl)phenyl)-5-(hydroxymethyl)oxazolidin-2-one.

Referemce:
https://en.wikipedia.org/wiki/Oxazolidine,
Oxazolidine | C3H7NO – PubChem

Wang, T. H. published the artcileAnalysis of trace volatile organic compounds in coffee by headspace concentration and gas chromatography-mass spectrometry, HPLC of Formula: 20662-83-3, the publication is Chromatographia (1983), 17(8), 411-17, database is CAplus.

A exptl. method for the anal. of trace volatile organic compounds was developed and standardized. This new technique involves headspace sampling, heart cutting, collection, and concentration of the volatiles on a porous polymer (Tenax-GC), followed by sensory evaluation and 2-dimensional gas chromatog. with flame ionization and S-sensitive flame photometric detectors and He as carrier gas. Using the modified Purge and Trap Sampler for on-line anal., the loss of organic volatile compounds, which usually occurs during sample transfer, was prevented. A number of aroma-related organic volatile compounds in coffee have been separated and identified by this technique. The method was standardized for the general needs of other related areas of aroma research.

Chromatographia published new progress about 20662-83-3. 20662-83-3 belongs to oxazolidine, auxiliary class Oxazole, name is 4,5-Dimethyloxazole, and the molecular formula is C7H13ClNNaO5S, HPLC of Formula: 20662-83-3.

Referemce:
https://en.wikipedia.org/wiki/Oxazolidine,
Oxazolidine | C3H7NO – PubChem

Golovnya, R. V. published the artcileUse of the principle of nonadditivity of sorption energies for calculation of retention indexes of alkyloxazoles in capillary chromatography, HPLC of Formula: 20662-83-3, the publication is Zhurnal Analiticheskoi Khimii (1989), 44(11), 2037-42, database is CAplus.

Capillary GC retention indexes were converted to free energies of sorption (ΔG) of variously alkyl-substituted oxazoles. Nonadditive, i.e., portion-dependent alkyl substituent effects on ΔG were observed; thus Me-jump contribution to ΔG, ΔG^Me, increased in the order ΔG^Me(α_N) < ΔG^Me(α_N,O < ΔG^Me(α_O), with locals identified in structure I. Use of nonadditive ΔG^alkyl afforded predictions of GC retentions of alkyloxazoles in good agreement with experiment

Zhurnal Analiticheskoi Khimii published new progress about 20662-83-3. 20662-83-3 belongs to oxazolidine, auxiliary class Oxazole, name is 4,5-Dimethyloxazole, and the molecular formula is C5H7NO, HPLC of Formula: 20662-83-3.

Referemce:
https://en.wikipedia.org/wiki/Oxazolidine,
Oxazolidine | C3H7NO – PubChem

Zhuravleva, I. L. published the artcileSchemes for calculation of alkyloxazole and alkylthiazole retention indexes under capillary chromatography conditions, HPLC of Formula: 20662-83-3, the publication is Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya (1990), 1338-44, database is CAplus.

Gas-chromatog. retention indexes were determined for the title compounds on 3 capillary columns, and the contributions of Me, Et, and Pr groups in different ring positions were calculated The results were used to predict retention indexes for di- and trisubstituted oxazoles and thiazoles.

Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya published new progress about 20662-83-3. 20662-83-3 belongs to oxazolidine, auxiliary class Oxazole, name is 4,5-Dimethyloxazole, and the molecular formula is C4H11NO, HPLC of Formula: 20662-83-3.

Referemce:
https://en.wikipedia.org/wiki/Oxazolidine,
Oxazolidine | C3H7NO – PubChem

van Loon, Wil A. M. published the artcileIdentification and olfactometry of French fries flavor extracted at mouth conditions, Formula: C5H7NO, the publication is Food Chemistry (2004), 90(3), 417-425, database is CAplus.

The aim of this study was to isolate and identify odor active compounds from French fries at mouth conditions. Volatile compounds were released from French fries by purge-and-trap, trapped on Tenax TA, and identified with GC-MS. GC-olfactometry was used to determine odor active compounds with a trained panel using the detection frequency method. A total of 122 compounds were identified of which 85% originated from either sugar degradation and/or Maillard reaction and 15% from lipid degradation, based on relative areas. About 50 odor active compounds were, due to co-elution, responsible for 41 odors perceived by the panel. 3-Methylbutanal and 2-methylbutanal, hexanal, 2,3-dimethylpyrazine, 2-methylpropanal, 2,3-butanedione, pyridine, heptanal, 2,5-dimethylpyrazine and/or 2,6-dimethylpyrazine and/or ethylpyrazine, di-Me trisulfide, octanal, phenylacetaldehyde, 2,5-diethylpyrazine, (E)-2-nonenal, 3-methylbutanoic acid and/or 2-methylbutanoic acid, (E,Z)-2,4-heptadienal, (E)-2-octenal, 5-ethyl-2,3-dimethylpyrazine and/or 2-ethyl- 3,5-dimethylpyrazine, nonanal, and tentatively 2-methylpyrrole had the highest detection frequencies. This resulted in a strong malty and fried potato note, combined with caramel/buttery, green, spicy, and deep-fried notes. Also chem. and sweaty odors were observed

Food Chemistry published new progress about 20662-83-3. 20662-83-3 belongs to oxazolidine, auxiliary class Oxazole, name is 4,5-Dimethyloxazole, and the molecular formula is C13H14N2O, Formula: C5H7NO.

Referemce:
https://en.wikipedia.org/wiki/Oxazolidine,
Oxazolidine | C3H7NO – PubChem

Zhou, Zhilei published the artcileElucidation of the aroma compositions of Zhenjiang aromatic vinegar using comprehensive two dimensional gas chromatography coupled to time-of-flight mass spectrometry and gas chromatography-olfactometry, Computed Properties of 20662-83-3, the publication is Journal of Chromatography A (2017), 218-226, database is CAplus and MEDLINE.

In this work, a method to characterize the aroma compounds of Zhenjiang aromatic vinegar (ZAV) was developed using comprehensive two dimensional gas chromatog. (GC × GC) coupled with time-of-flight mass spectrometry (TOFMS) and gas chromatog. olfactometry (GC-O). The column combination was optimized and good separation was achieved. Structured chromatograms of furans and pyrazines were obtained and discussed. A total of 360 compounds were tentatively identified based on mass spectrum match factors, structured chromatogram and linear retention indexes comparison. The most abundant class in number was ketones. A large number of esters, furans and derivatives, aldehydes and alcs. were also detected. The odor-active components were identified by comparison of the reported odor of the identified compounds with the odor of corresponding GC-O region. The odorants of methanethiol, 2-methyl-propanal, 2-methyl-butanal/3-methyl-butanal, octanal, 1-octen-3-one, di-Me trisulfide, trimethyl-pyrazine, acetic acid, 3-(methylthio)-propanal, furfural, benzeneacetaldehyde, 3-methyl-butanoic acid/2-methyl-butanoic acid and phenethyl acetate were suspected to be the most potent. About half of them were identified as significant aroma constituents in ZAV for the first time. Their contribution to specific sensory attribute of ZAJ was also studied. The results indicated that the presented method is suitable for characterization of ZAV aroma constituents. This study also enriches our knowledge on the components and aroma of ZAV.

Journal of Chromatography A published new progress about 20662-83-3. 20662-83-3 belongs to oxazolidine, auxiliary class Oxazole, name is 4,5-Dimethyloxazole, and the molecular formula is C6H6N2O, Computed Properties of 20662-83-3.

Referemce:
https://en.wikipedia.org/wiki/Oxazolidine,
Oxazolidine | C3H7NO – PubChem

Terent’ev, P. B. published the artcileReaction of vinylpyridines with oxazoles, COA of Formula: C5H7NO, the publication is Khimiya Geterotsiklicheskikh Soedinenii (1980), 1255-62, database is CAplus.

The regioselectivity observed in the cycloaddition reactions of vinylpyridines with oxazoles was predicted by MO calculation of HOMO and LUMO energies and product stabilization energies. Thus, 2-vinylpyridine reacted with 2,4-dimethyloxazole (I) to give II; III reacted with I to give IV. The structure of the bicyclic products was determined by oxidation to bipyridines and spectral anal. of the latter.

Khimiya Geterotsiklicheskikh Soedinenii published new progress about 20662-83-3. 20662-83-3 belongs to oxazolidine, auxiliary class Oxazole, name is 4,5-Dimethyloxazole, and the molecular formula is C11H24O3, COA of Formula: C5H7NO.

Referemce:
https://en.wikipedia.org/wiki/Oxazolidine,
Oxazolidine | C3H7NO – PubChem

Cheng, Xiaokai published the artcileEnantioselective benzylic C-H arylation via photoredox and nickel dual catalysis, Formula: C14H24N2O2, the publication is Nature Communications (2019), 10(1), 1-7, database is CAplus and MEDLINE.

Here, an enantioselective benzylic C(sp³)-H bond arylation via photoredox/nickel dual catalysis was reported. Sterically hindered chiral biimidazoline ligands were designed for this asym. cross-coupling reaction. Readily available alkyl benzenes and aryl bromides with various functional groups tolerance could be easily and directly transferred to useful chiral 1,1-diaryl alkanes I [R = Me, Et, Bn, etc.; Ar¹ = Ph, 4-MeOC₆H₄, 4-FC₆H₄, 4-iBuC₆H₄, 2-naphthyl; Ar² = 4-FC₆H₄, 3-CNC₆H₄, benzofuran-5-yl, etc.] including pharmaceutical intermediates and bioactive mols. This reaction proceeded smoothly under mild conditions without the use of external redox reagents.

Nature Communications published new progress about 138429-17-1. 138429-17-1 belongs to oxazolidine, auxiliary class BOX Ligands, name is (4S,4’S)-4,4′-Diisobutyl-4,4′,5,5′-tetrahydro-2,2′-bioxazole, and the molecular formula is C14H24N2O2, Formula: C14H24N2O2.

Referemce:
https://en.wikipedia.org/wiki/Oxazolidine,
Oxazolidine | C3H7NO – PubChem

Hoff, Signe published the artcileQuality of pilsner malt and roasted malt during storage, Recommanded Product: 4,5-Dimethyloxazole, the publication is Journal of the Institute of Brewing (2014), 120(4), 331-340, database is CAplus.

Malt is usually expected to be stable during 12 mo of storage. However, in practice many brewers notice changes in malt aroma during storage. The oxidative stabilities of pilsner malt and roasted malt were evaluated during a 12 mo storage at different temperatures (10 and 20 °C) and water activities (0.231 and 0.432). The radical content in malt kernels was measured by ESR spectroscopy and the volatile profile of the resulting sweet worts was measured by head-space anal. followed by GC-MS anal. The storage of malt resulted in oxidative reactions and a large change of the volatile profile of the resulting worts. Roasted malt was much more unstable than pilsner malt, as illustrated by a higher initial radical intensity, larger radical decay during storage and a larger change in the volatile profile of the wort with increased amounts of lipid oxidation products. For both roasted malt and pilsner malt, good correlations were found between radical decay and changes in the volatile profile of the wort, where high temperature and high water activity resulted in the largest changes. During the 12 mo of storage, the sugar extract of the wort made from the malts remained constant and was not affected by the chem. changes. This study suggests that chem. changes occurring in malts during less than 12 mo of storage may potentially affect the aroma of beer, and that water activity and storage temperature should both be kept low in order to maintain a high malt quality. Copyright © 2014 The Institute of Brewing & Distilling

Journal of the Institute of Brewing published new progress about 20662-83-3. 20662-83-3 belongs to oxazolidine, auxiliary class Oxazole, name is 4,5-Dimethyloxazole, and the molecular formula is C5H7NO, Recommanded Product: 4,5-Dimethyloxazole.

Referemce:
https://en.wikipedia.org/wiki/Oxazolidine,
Oxazolidine | C3H7NO – PubChem

Eiserich, Jason P. published the artcileVolatile antioxidants formed from an L-cysteine/D-glucose Maillard model system, Application of 4,5-Dimethyloxazole, the publication is Journal of Agricultural and Food Chemistry (1992), 40(10), 1982-8, database is CAplus.

The microwave-induced volatile compounds formed from an L-cysteine/D-glucose Maillard model system at different pH values were evaluated for antioxidative activity using a newly developed method. The dichloromethane extracts of pH 9 and 5 showed the strongest antioxidative effects. Fractionation of the pH 9 extract by column chromatog. revealed three fractions possessing antioxidative activity. 2,4,5-Trimethyloxazole, 2,4,5-trimethylthiazole, 4,5-dimethylthiazole, oxazole, thiazole, and 2,5-dimethyl-4-hydroxy-3(2H)-furanone (DMHF) were identified in these fractions as volatile antioxidants. The strongest antioxidative activity was displayed by DMHF, followed by the oxazoles, whereas the thiazoles showed only slight activity. Trimethylpyrazine, another major volatile compound produced in the Maillard reaction, did not show any antioxidative activity. The antioxidative activities of these heterocyclic volatiles were directly dependent upon their concentrations

Journal of Agricultural and Food Chemistry published new progress about 20662-83-3. 20662-83-3 belongs to oxazolidine, auxiliary class Oxazole, name is 4,5-Dimethyloxazole, and the molecular formula is C5H7NO, Application of 4,5-Dimethyloxazole.

Referemce:
https://en.wikipedia.org/wiki/Oxazolidine,
Oxazolidine | C3H7NO – PubChem