Category: oxazolidine

Thammarat, Poowadol published the artcileIdentification of volatile compounds and selection of discriminant markers for elephant dung coffee using static headspace gas chromatography- mass spectrometry and chemometrics, SDS of cas: 20662-83-3, the publication is Molecules (2018), 23(8), 1910/1-1910/14, database is CAplus and MEDLINE.

Elephant dung coffee (Black Ivory Coffee) is a unique Thai coffee produced from Arabica coffee cherries consumed by Asian elephants and collected from their feces. In this work, elephant dung coffee and controls were analyzed using static headspace gas chromatog. hyphenated with mass spectrometry (SHS GC-MS), and chemometric approaches were applied for multivariate anal. and the selection of marker compounds that are characteristic of the coffee. Seventy-eight volatile compounds belonging to 13 chem. classes were tentatively identified, including six alcs., five aldehydes, one carboxylic acid, three esters, 17 furans, one furanone, 13 ketones, two oxazoles, four phenolic compounds, 14 pyrazines, one pyridine, eight pyrroles and three sulfur-containing compounds Moreover, four potential discriminant markers of elephant dung coffee, including 3-methyl-1-butanol, 2-methyl-1-butanol, 2-furfurylfuran and 3-penten-2-one were established. The proposed method may be useful for elephant dung coffee authentication and quality control.

Molecules 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 C12H17NS2, SDS of cas: 20662-83-3.

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

Chauhan, Aditi published the artcileComprehensive review on mechanism of action, resistance and evolution of antimycobacterial drugs, Quality Control of 1219707-39-7, the publication is Life Sciences (2021), 119301, database is CAplus and MEDLINE.

A review. Tuberculosis is one of the deadliest infectious diseases existing in the world since ancient times and still possesses serious threat across the globe. Each year the number of cases increases due to high drug resistance shown by Mycobacterium tuberculosis (Mtb). Available antimycobacterial drugs have been classified as First line, Second line and Third line antibiotics depending on the time of their discoveries and their effectiveness in the treatment. These antibiotics have a broad range of targets ranging from cell wall to metabolic processes and their non-judicious and uncontrolled usage in the treatment for years has created a significant problem called multi-drug resistant (MDR) tuberculosis. In this review, we have summarized the mechanism of action of all the classified antibiotics currently in use along with the resistance mechanisms acquired by Mtb. We have focused on the new drug candidates/repurposed drugs, and drug in combinations, which are in clin. trials for either treating the MDR tuberculosis more effectively or involved in reducing the time required for the chemotherapy of drug sensitive TB. This information is not discussed very adequately on a single platform. Addnl., we have discussed the recent technologies that are being used to discover novel resistance mechanisms acquired by Mtb and for exploring novel drugs. The story of intrinsic resistance mechanisms and evolution in Mtb is far from complete. Therefore, we have also discussed intrinsic resistance mechanisms of Mtb and their evolution with time, emphasizing the hope for the development of novel antimycobacterial drugs for effective therapy of tuberculosis.

Life Sciences 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, Quality Control of 1219707-39-7.

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

Li, Bijin published the artcileRhodium(III)-Catalyzed ortho-Heteroarylation of Phenols through Internal Oxidative C-H Activation: Rapid Screening of Single-Molecular White-Light-Emitting Materials, Quality Control of 72571-06-3, the publication is Angewandte Chemie, International Edition (2015), 54(47), 14008-14012, database is CAplus and MEDLINE.

Reported herein is the first example of a transition-metal-catalyzed internal oxidative C-H cross-coupling between two (hetero)arenes through a traceless oxidation directing strategy. Without the requirement of an external metal oxidant, a wide range of phenols, including phenol-containing natural products, can undergo the coupling with azoles to assemble a large library of highly functionalized 2-(2-hydroxyphenyl)azoles. The route provides an opportunity to rapidly screen white-light-emitting materials. As illustrative examples, two bis(triphenylamine)-bearing 2-(2-hydroxyphenyl)oxazoles, which are difficult to access otherwise, exhibit bright white-light emission, high quantum yield, and thermal stability. Also presented is the first example of the white-light emission, in a single excited-state intramol. proton transfer system, of 2-(2-hydroxyphenyl)azoles, thus highlighting the charm of C-H activation in the discovery of new organic optoelectronic materials.

Angewandte Chemie, International Edition published new progress about 72571-06-3. 72571-06-3 belongs to oxazolidine, auxiliary class Oxazole,Bromide,Benzene, name is 5-(4-Bromophenyl)oxazole, and the molecular formula is C9H6BrNO, Quality Control of 72571-06-3.

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

Freeman, Fillmore published the artcileSubstituent Effects on Singlet-Triplet Gaps and Mechanisms of 1,2-Rearrangements of 1,3-Oxazol-2-ylidenes to 1,3-Oxazoles, Category: oxazolidine, the publication is Journal of Physical Chemistry A (2008), 112(37), 8775-8784, database is CAplus and MEDLINE.

Electronic structures, partial at. charges, singlet-triplet gaps (ΔE_ST), substituent effects, and mechanisms of 1,2-rearrangements of 1,3-oxazol-2-ylidene (5) and 4,5-dimethyl- (6), 4,5-difluoro- (7), 4,5-dichloro- (8), 4,5-dibromo- (9), and 3-methyl-1,3-oxazol-2-ylidene (10) to the corresponding 1,3-oxazoles were studied using complete-basis-set methods (CBS-QB3, CBS-Q, CBS-4 M), second-order Moller-Plesset perturbation method (MP2), hybrid d. functionals (B3LYP, B3PW91), coupled-cluster theory with single and double excitations (CCSD) and CCSD plus perturbative triple excitations [CCSD(T)], and the quadratic CI method including single and double excitations (QCISD) and QCISD plus perturbative triple excitations [QCISD(T)]. The 6-311G(d,p), 6-31+G(d,p), 6-311+G(d,p), and correlation-consistent polarized valence double-ξ (cc-pVDZ) basis sets were employed. The carbenes have singlet ground states, and the CBS-QB3 and CBS-Q methods predict ΔE_ST values for 5-8 and 10 of 79.9, 79.8, 74.7, 77.0, and 82.0 kcal/mol, resp. CCSD(T), QCISD(T), B3LYP, and B3PW91 predict smaller ΔE_ST values than CBS-QB3 and CBS-Q, with the hybrid d. functionals predicting the smallest values. The concerted unimol. exothermic out-of-plane 1,2-rearrangements of singlet 1,3-oxazol-2-ylidenes to their resp. 1,3-oxazoles proceed via cyclic three-center transition states. The CBS-predicted barriers to the 1,2-rearrangements of singlet carbenes 5-9 to their resp. 1,3-oxazoles are 41.4, 40.4, 37.8, 40.4, and 40.5 kcal/mol, resp. During the 1,2-rearrangements of singlet 1,3-oxazol-2-ylidenes 5-9 there is a decrease in electron d. at oxygen, N3 (the migration origin), and C5 and an increase in electron d. at C2 (the migration terminus), C4, and the partially pos. migrating hydrogen.

Journal of Physical Chemistry 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 C5H7NO, Category: oxazolidine.

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

Carlin, James T. published the artcileComparison of acidic and basic volatile compounds of cocoa butters from roasted and unroasted cocoa beans, Formula: C5H7NO, the publication is JAOCS, J. Am. Oil Chem. Soc. (1986), 63(8), 1031-6, database is CAplus.

A total of 9 acidic and 83 basic compounds was identified in the roasted and unroasted cocoa butter samples. Forty-seven of the compounds identified are reported for the 1st time in cocoa. The higher concentration of short-chain fatty acids in the unroasted cocoa butter is responsible for its acidic aroma characteristics. The roasted cocoa butter generally contained greater numbers and higher concentrations of compounds whose formations would be favored by thermal processing. These compounds included pyrazines, thiazoles, oxazoles, and pyridines. The aromas of many of these compounds are characteristic of the aroma differences between the 2 cocoa butters and contribute to the cocoa aroma of roasted cocoa butter.

JAOCS, J. Am. Oil Chem. Soc. 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, Formula: C5H7NO.

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

Ho, Chi Tang published the artcileIsolation and identification of volatile flavor compounds in fried bacon, Computed Properties of 20662-83-3, the publication is Journal of Agricultural and Food Chemistry (1983), 31(2), 336-42, database is CAplus.

Volatile flavor compounds were isolated from 120 lb of fried bacon by a specially designed apparatus The isolated volatile flavor compounds were subjected to extensive gas chromatog. fractionation, and the pure fractions obtained were identified by IR and mass spectrometry. A total of 135 compounds were identified. The compounds identified in the volatiles of fried bacon included hydrocarbons, alcs., ketones, aldehydes, acids, esters, ethers, phenols, pyrazines, furans, thiazoles, oxazoles, oxazolines, pyrroles, pyridines, and miscellaneous compounds Two interesting halogenated pyrroles, N-acetyl-2-chloropyrrole  [84455-05-0] and N-acetyl-2-bromopyrrole  [84455-06-1], were synthesized to confirm the identification.

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, Computed Properties of 20662-83-3.

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

Choi, Yewon published the artcileSafety, tolerability and pharmacokinetics of 21 day multiple oral administration of a new oxazolidinone antibiotic, LCB01-0371, in healthy male subjects, Related Products of oxazolidine, the publication is Journal of Antimicrobial Chemotherapy (2018), 73(1), 183-190, database is CAplus and MEDLINE.

Background: LCB01-0371 is a new oxazolidinone antibiotic, which targets most Gram-pos. organisms. High rates of adverse reactions including myelosuppression have been reported for existing oxazolidinones, limiting their long-term use. Objectives: The safety, tolerability and pharmacokinetics (PK) of 21 day multiple oral administrations of LCB01-0371 in healthy male subjects (clinicaltrials.gov: NCT02540460) were investigated. Methods: In this randomized, double-blind, placebo-controlled study, subjects received 800mg of LCB01-0371 once or twice daily or 1200mg of LCB01-0371 twice-daily for 21 days in a fasting state. Safety and tolerability profiles including laboratory tests were evaluated during the study and on a post-study visit and the results were analyzed using repeated-measures anal. of variance (RM-ANOVA). Serial blood samples for PK anal. were collected up to 12 h after dosing on day 21. Results: A total of 40 subjects were enrolled and 34 subjects completed the study. Two subjects dropped out according to stopping rules. In the 1200mg twice-daily dose group, the absolute value of red blood cell count, haematocrit and Hb decreased by 500×10⁶/L (6.5%), 4.5% (6.8%) and 1.6 g/dL (6.9%), resp., after 21 day administrations of LCB01-0371. However, mean relative changes from baseline of all haematol. values were not significantly different among doses, including placebo (all, P<0.05). PK profiles of LCB01-0371 in the dose range of 800mg once daily to 1200mg twice daily were consistent with previous studies. Conclusions: LCB01-0371 is well tolerated in healthy male subjects with comparable haematol. profiles to placebo, after multiple doses of up to 1200mg twice daily for 21 days.

Journal of Antimicrobial Chemotherapy 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, Related Products of oxazolidine.

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

Lee, Hyun-Hee published the artcileResistance mechanism of Enterococcus faecalis to LCB01-0371, a new oxazolidinone, Application of (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 Yakhak Hoechi (2014), 58(1), 7-11, database is CAplus.

To study the resistance mechanism of E. faecalis to LCB01-0371, several resistant mutants to LCB01-0371 or linezolid were isolated by step-wise selection. The frequency of spontaneous mutations resistant to LCB01-0371 was lower than that of linezolid in E. faecalis. The genetic variations in resistant mutants were analyzed by DNA sequencing of domain V of 23S rRNA in each mutant. The first-step mutant to LCB01-0371 had a G2576T point mutation in V domain of 23S rRNA. However, no resistant mutant to LCB01-0371 was isolated in second-step mutant selection.

Yakhak Hoechi 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, Application of (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

Alzieu, Thibaut published the artcileConverting oxazoles into imidazoles: new opportunities for diversity-oriented synthesis, Quality Control of 72571-06-3, the publication is Chemical Communications (Cambridge, United Kingdom) (2014), 50(15), 1867-1870, database is CAplus and MEDLINE.

We report the optimization of a neglected reaction for the rapid and direct conversion of oxazoles into N-substituted imidazoles. The utility of this microwave-promoted reaction for diversity-oriented synthesis is demonstrated in the preparation of >40 N-substituted imidazoles, including α-imidazolyl esters.

Chemical Communications (Cambridge, United Kingdom) published new progress about 72571-06-3. 72571-06-3 belongs to oxazolidine, auxiliary class Oxazole,Bromide,Benzene, name is 5-(4-Bromophenyl)oxazole, and the molecular formula is C9H6BrNO, Quality Control of 72571-06-3.

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

Wang, Min published the artcileA highly efficient palladium-catalyzed desulfitative arylation of azoles with sodium arylsulfinates, Name: 5-(4-Bromophenyl)oxazole, the publication is Tetrahedron (2012), 68(7), 1926-1930, database is CAplus.

A highly efficient palladium-catalyzed direct desulfitative arylation of azoles at C2-position has been developed using sodium arylsulfinates as aryl sources. Azoles including benzoxazoles, benzothiazoles, oxazoles, thiazoles, and 1,3,4-oxadiazoles reacted with sodium arylsulfinates smoothly to generate the corresponding products in good to excellent yields, and various substitution patterns were tolerated toward the reaction.

Tetrahedron published new progress about 72571-06-3. 72571-06-3 belongs to oxazolidine, auxiliary class Oxazole,Bromide,Benzene, name is 5-(4-Bromophenyl)oxazole, and the molecular formula is C8H17Br, Name: 5-(4-Bromophenyl)oxazole.

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