Category: 30414-53-0

Han, Chunyu published the artcileTetra-substituted furans by a gold-catalysed tandem C(sp³)-H alkynylation/oxy-alkynylation reaction, SDS of cas: 30414-53-0, the publication is Organic Chemistry Frontiers (2021), 8(23), 6546-6552, database is CAplus.

A gold-catalyzed cascade C(sp³)-H alkynylation/oxy-alkynylation of acceptor-substituted carbonyl compounds with hypervalent iodine(III) reagents for the synthesis of tetra-substituted furans is described. This reaction involves two Au(I)/Au(III) catalytic cycles and proceeds through a C(sp³)-H alkynylation of a substituted ketone and a subsequent oxy-alkynylation of the generated 2-alkynyl ketone. This mild and simple method can tolerate a wide range of functionalities, offering distinct advantages over previous methods using PIDA as the external oxidant. Furthermore, a gram-scale synthesis is feasible and the synthesized furan product was readily transformed into other related compounds

Organic Chemistry Frontiers published new progress about 30414-53-0. 30414-53-0 belongs to esters-buliding-blocks, auxiliary class Aliphatic hydrocarbon chain,Ketone,Ester, name is Methyl 3-oxovalerate, and the molecular formula is C6H10O3, SDS of cas: 30414-53-0.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Han, Chunyu published the artcileTetrasubstituted 1,3-Enynes by Gold-Catalyzed Direct C(sp²)-H Alkynylation of Acceptor-Substituted Enamines, Application In Synthesis of 30414-53-0, the publication is Organic Letters (2021), 23(12), 4764-4768, database is CAplus and MEDLINE.

A gold-catalyzed synthesis of tetrasubstituted 1,3-enynes from hypervalent iodine(III) reagents and activated alkenes is reported. This reaction involves an in situ formed alkynyl Au(III) species and a subsequent direct C(sp²)-H functionalization of alkenes, offering 26 enynes in 62-92% yield with excellent functional group tolerance.

Organic Letters published new progress about 30414-53-0. 30414-53-0 belongs to esters-buliding-blocks, auxiliary class Aliphatic hydrocarbon chain,Ketone,Ester, name is Methyl 3-oxovalerate, and the molecular formula is C6H10O3, Application In Synthesis of 30414-53-0.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Robinson, Emma J. published the artcileAqueous Metabolite Trends for the Progression of Nonalcoholic Fatty Liver Disease in Female Bariatric Surgery Patients by Targeted 1H-NMR Metabolomics, Formula: C6H10O3, the publication is Metabolites (2021), 11(11), 737, database is CAplus and MEDLINE.

Determining biomarkers and better characterizing the biochem. progression of nonalcoholic fatty liver disease (NAFLD) remains a clin. challenge. A targeted 1H-NMR study of serum, combined with clin. variables, detected and localized biomarkers to stages of NAFLD in morbidly obese females. Pre-surgery serum samples from 100 middle-aged, morbidly obese female subjects, grouped on gold-standard liver wedge biopsies (non-NAFLD; steatosis; and fibrosis) were collected, extracted, and analyzed in aqueous (D2O) buffer (1H, 600 MHz). Profiled concentrations were subjected to exploratory statistical anal. Metabolites varying significantly between the non-NAFLD and steatosis groups included the ketone bodies 3-hydroxybutyrate (� p = 0.035) and acetone (� p = 0.012), and also alanine (� p = 0.004) and a putative pyruvate signal (� p = 0.003). In contrast, the steatosis and fibrosis groups were characterized by 2-hydroxyisovalerate (� p = 0.023), betaine (� p = 0.008), hypoxanthine (� p = 0.003), taurine (� p = 0.001), 2-hydroxybutyrate (� p = 0.045), 3-hydroxyisobutyrate (� p = 0.046), and increasing medium chain fatty acids. Exploratory classification models with and without clin. variables exhibited overall success rates ca. 75-85%. In the study conditions, inhibition of fatty acid oxidation and disruption of the hepatic urea cycle are supported as early features of NAFLD that continue in fibrosis. In fibrosis, markers support inflammation, hepatocyte damage, and decreased liver function. Complementarity of NMR concentrations and clin. information in classification models is shown. A broader hypothesis that standard-of-care sera can yield metabolomic information is supported.

Metabolites published new progress about 30414-53-0. 30414-53-0 belongs to esters-buliding-blocks, auxiliary class Aliphatic hydrocarbon chain,Ketone,Ester, name is Methyl 3-oxovalerate, and the molecular formula is C6H10O3, Formula: C6H10O3.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Yu, Xiu-yue published the artcileA new A₃B zinc(II)-porphyrin ligand and its ruthenium(II) complex: synthesis, photophysical properties and photocatalytic applications, SDS of cas: 30414-53-0, the publication is Journal of Molecular Structure (2021), 130358, database is CAplus.

Porphyrins and metalloporphyrins (or porphyrin coordination complexes) have been wildly investigated as photocatalysts in recent years. Herein we synthesized two new A₃B porphyrins, a new asym. A₃B zinc-porphyrin ligand with peripheral chelate group (pyridine dicarboxylate), and a ruthenium(II) complex of the porphyrin ligand. Their photo-phys. properties were characterized and investigated by UV-visible and fluorescent emission. The modeling of the mol. structures was optimized by DFT theor. calculation All porphyrin compounds exhibited strong absorbance at the Soret bands and Q bands. The free base of porphyrin possessed a higher quantum yield and a longer life time than the other two zinc-porphyrins and ruthenium-porphyrin in terms of fluorescence. Furthermore, the ruthenium-porphyrin complex can be used as a promising photocatalyst under visible light for two kinds of organic reactions: ketone-related oxidative aminothiocyanation (above 90% yield) and indole-related oxidative thiocyanation (around 80% yield) with a remarkable low amount (0.1 mmol %).

Journal of Molecular Structure published new progress about 30414-53-0. 30414-53-0 belongs to esters-buliding-blocks, auxiliary class Aliphatic hydrocarbon chain,Ketone,Ester, name is Methyl 3-oxovalerate, and the molecular formula is Al2H32O28S3, SDS of cas: 30414-53-0.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Tkachuk, Volodymyr V. published the artcile2-Carbamimidoylbenzoic Acid as a New Effective and Available Precursor for the Synthesis of Substituted 2-(Pyrimidin-2-yl)-benzoic Acids, COA of Formula: C6H10O3, the publication is Synthesis (2021), 53(2), 371-382, database is CAplus.

A new approach to the synthesis of 2-(pyrimidin-2-yl)benzoic acids I (R = Me, Et, Ph, OH, NH₂) based on the ring contraction of the 2-carbamimidoylbenzoic acid with 1,3-dicarbonyl compounds R¹CH₂C(O)OR² (R¹ = C(O)Me, C(O)Et, C(O)Ph, C(O)OEt, CN; R² = Me, Et), and their synthetic equivalent has been developed. The intramol. condensation of the obtained acids with 1,3-dielectrophiles proceeds with the formation of the 4,6-dihydropyrimido[2,1-a]isoindole-4,6-diones II (R = Me, Et, Ph, NH₂), the pyrrolidone ring of which is easily opened under the action of weak nucleophiles. The reaction of 2-carbamimidoylbenzoic acid with chromones III (R³ = H, CF₃; R⁴ = 4-chlorophenyl, 2-nitrophenyl), which have an aryloxy group at 3-position does not stop at the step of pyrimidine ring formation and undergoes further spontaneous cyclization into 2-(benzo[4,5]furo[3,2-d]pyrimidin-2-yl)benzoic acids IV.

Synthesis published new progress about 30414-53-0. 30414-53-0 belongs to esters-buliding-blocks, auxiliary class Aliphatic hydrocarbon chain,Ketone,Ester, name is Methyl 3-oxovalerate, and the molecular formula is C18H10F3NO3S2, COA of Formula: C6H10O3.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Gupta, Aniket published the artcileCooperativity between the Substrate and Ligand in Palladium-Catalyzed Allylic Alkylation Using 1-Aryl-1-propynes, SDS of cas: 30414-53-0, the publication is Journal of Organic Chemistry (2022), 87(15), 10366-10371, database is CAplus and MEDLINE.

A monoprotected amino acid Bz-Gly-OH assists in the allylic alkylation of a variety of ketones, β-keto esters, aldehydes, etc., during enamine-palladium catalysis to gave alkylated products such as R¹C(O)CHR²CH₂CH=CHAr [R¹ = Me, Et, n-Pr; R² = Et, C(O)OMe, C(O)OEt, C(O)OBn, etc.; R¹R² = (CH₂)₃, (CH₂)₄, (CH₂)₅, etc.]. D. functional theory calculations revealed that Bz-Gly-OH assisted in the formation of an enamine that attacks the π-allylpalladium complex via an outer sphere mechanism. The preliminary result pointed to an asym. allylic alkylation under a new mode of bifunctional catalysis.

Journal of Organic Chemistry published new progress about 30414-53-0. 30414-53-0 belongs to esters-buliding-blocks, auxiliary class Aliphatic hydrocarbon chain,Ketone,Ester, name is Methyl 3-oxovalerate, and the molecular formula is C6H10O3, SDS of cas: 30414-53-0.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Ulven, Elisabeth Rexen published the artcileStructure-Activity Relationship Studies of Tetrahydroquinolone Free Fatty Acid Receptor 3 Modulators, Formula: C6H10O3, the publication is Journal of Medicinal Chemistry (2020), 63(7), 3577-3595, database is CAplus and MEDLINE.

Free fatty acid receptor 3 (FFA3, previously GPR41) is activated by short-chain fatty acids, mediates health effects of the gut microbiota, and is a therapeutic target for metabolic and inflammatory diseases. The shortage of well-characterized tool compounds has however impeded progress. Herein, we report structure-activity relationship of an allosteric modulator series and characterization of physicochem. and pharmacokinetic properties of selected compounds, including previous and new tools. Two representatives, 57 (TUG-1907) and 63 (TUG-2015), showed improved solubility and preserved potency. Of these, 57, with EC₅₀ = 145 nM and a solubility of 33μM, showed high clearance in vivo but is a preferred tool in vitro. In contrast, 63, with EC₅₀ = 162 nM and a solubility of 9μM, showed lower clearance and seems better suited for in vivo studies. Using 57, we demonstrate for the first time that FFA3 activation leads to calcium mobilization in murine dorsal root ganglia.

Journal of Medicinal Chemistry published new progress about 30414-53-0. 30414-53-0 belongs to esters-buliding-blocks, auxiliary class Aliphatic hydrocarbon chain,Ketone,Ester, name is Methyl 3-oxovalerate, and the molecular formula is C9H5Cl2F3, Formula: C6H10O3.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Chahal, Mandeep K. published the artcileMolecular Engineering of β-Substituted Oxoporphyrinogens for Hydrogen-Bond Donor Catalysis, Formula: C6H10O3, the publication is European Journal of Organic Chemistry (2020), 2020(1), 82-90, database is CAplus.

A new class of bifunctional hydrogen-bond donor organocatalyst using oxoporphyrinogens having increased intramol. hydrogen-bond donor distances is reported. Oxoporphyrinogens are highly non-planar rigid macrocycles containing a multiple hydrogen bond-forming binding site. In this work, we describe the first example of non-planar OxPs as hydrogen-bond donor catalysts prepared using a mol. engineering approach of the binding site for dual activation of substrates. The introduction of β-substituents is key to the catalytic activity and the catalysts are able to catalyze 1,4-conjugate additions and sulfa-Michael additions, as well as, Henry and aza-Henry reactions at low catalyst loadings (≤ 1 mol-%) under mild conditions (e.g., catalyst I). Preliminary mechanistic studies have been carried out and a possible reaction mechanism has been proposed based on the bi-functional activation of both substrates through hydrogen-bonding interactions.

European Journal of Organic Chemistry published new progress about 30414-53-0. 30414-53-0 belongs to esters-buliding-blocks, auxiliary class Aliphatic hydrocarbon chain,Ketone,Ester, name is Methyl 3-oxovalerate, and the molecular formula is C6H10O3, Formula: C6H10O3.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Ma, Chi-Wang published the artcileRapid broad spectrum detection of carbapenemases with a dual fluorogenic-colorimetric probe, Product Details of C6H10O3, the publication is Journal of the American Chemical Society (2021), 143(18), 6886-6894, database is CAplus and MEDLINE.

Carbapenems stand as one of the last-resort antibiotics; however, their efficacy is threatened by the rising number and rapid spread of carbapenemases. Effective antimicrobial stewardship thus calls for rapid tests for these enzymes to aid appropriate prescription and infection control. Herein, we report the first effective pan-carbapenemase reporter CARBA-H with a broad scope covering all three Ambler classes. Using a chem. biol. approach, we demonstrated that the absence of the 1β-substituent in the carbapenem core is key to pan-carbapenemase recognition, which led to our rational design and probe development. CARBA-H provides a dual colorimetric-fluorogenic response upon carbapenemase-mediated hydrolysis. A clear visual readout can be obtained within 15 min when tested against a panel of carbapenemase-producing Enterobacteriaceae (CPE) clin. isolates that notably includes OXA-48 and OXA-181-producing strains. Furthermore, CARBA-H can be applied to the detection of carbapemenase activity in CPE-spiked urine samples.

Journal of the American Chemical Society published new progress about 30414-53-0. 30414-53-0 belongs to esters-buliding-blocks, auxiliary class Aliphatic hydrocarbon chain,Ketone,Ester, name is Methyl 3-oxovalerate, and the molecular formula is C6H10O3, Product Details of C6H10O3.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Starchman, Evangeline S. published the artcileSynthesis of (±)-rupestines B and C by intramolecular Mizoroki-Heck cyclization, Related Products of esters-buliding-blocks, the publication is Tetrahedron Letters (2020), 61(19), 151837, database is CAplus.

The total synthesis of rupestines B and C, I (R = α-Me, β-Me, resp.), two guaipyridine sesquiterpene alkaloids, is reported. These compounds are isolated from Artemisia rupestris L. and have structural similarities to that of cananodine, a guaipyridine alkaloid with activity against two liver cancer cell lines. The synthesis of rupestines B and C was accomplished in six steps using an intramol. Mizoroki-Heck cyclization as the key-step to form the seven-membered carbocycle of the targets.

Tetrahedron Letters published new progress about 30414-53-0. 30414-53-0 belongs to esters-buliding-blocks, auxiliary class Aliphatic hydrocarbon chain,Ketone,Ester, name is Methyl 3-oxovalerate, and the molecular formula is C2H4ClNO, Related Products of esters-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics