Month: November 2022

Li, Wanwan published the artcileDiscovery of N-phenyl-1-(phenylsulfonamido)cyclopropane-1-carboxamide analogs as NLRP3 inflammasome inhibitors, SDS of cas: 1877-71-0, the publication is Medicinal Chemistry Research (2021), 30(6), 1294-1308, database is CAplus.

Two series of novel NLRP3 inflammasome inhibitors are designed, synthesized, and evaluated in an effort to develop diversified analogs based on the N-(phenylcarbamoyl)benzenesulfonamide scaffold. SAR studies reveal that the sulfonylurea linker can tolerate chem. modifications with either simply changing over the position of carbonyl and sulfonyl group or structurally flexibly inserting a cyclopropyl group, leading to identification of several more potent and diversified NLRP3 antagonists (e.g., 9) with low nanomolar inhibitory activities. Further studies indicate that these two series of compounds with low cytotoxicity exhibited weak effects on the generation of NO and TNF-a. The findings may serve as good starting points for the development of more potent NLRP3 inflammasome inhibitors as valuable pharmacol. probes or potential drug candidates.

Medicinal Chemistry Research published new progress about 1877-71-0. 1877-71-0 belongs to esters-buliding-blocks, auxiliary class Carboxylic acid,Benzene,Ester, name is 3-(Methoxycarbonyl)benzoic acid, and the molecular formula is C9H8O4, SDS of cas: 1877-71-0.

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

Liu, Hao-Nan published the artcileCu-Mediated Expeditious Annulation of Alkyl 3-Aminoacrylates with Aryldiazonium Salts: Access to Alkyl N²-Aryl 1,2,3-Triazole-carboxylates for Druglike Molecular Synthesis, Application In Synthesis of 30414-53-0, the publication is Organic Letters (2020), 22(4), 1396-1401, database is CAplus and MEDLINE.

A Cu-mediated annulation reaction of alkyl 3-aminoacrylates with aryldiazonium salts was described, both of which were readily available substrates. Furthermore, alkyl 2-aminoacrylates were also viable substrates. Diverse alkyl N²-aryl 1,2,3-triazole-carboxylates and their analogs was rapidly prepared under mild conditions. Especially, this protocol allowed one to access several druglike variants of carbonic anhydrase inhibitors and celecoxib.

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

You, Jian published the artcileNovel Norrish type I flavonoid photoinitiator for safe LED light with high activity and low toxicity by inhibiting the ESIPT process, HPLC of Formula: 10287-53-3, the publication is Dyes and Pigments (2021), 108865, database is CAplus.

In this study, flavonoid with N,N-diphenylamino group, 2-(4-(diphenylamino)phenyl)-3-hydroxy-4H-chromen-4-one (3HF-OH) was designed and synthesized as low-toxicity photoinitiator for photopolymerization under safe visible LED sources, however, low photoinitiation activity of 3HF-OH was found due to the excited state proton transfer (ESIPT) process. Hence, by replacing the 3-position hydroxyl group of 3HF-OH with benzoyl chloride and benzenesulfonyl chloride, flavonol carboxylate (3HF-C) and flavonol sulfonate (3HF-S) were synthesized, resp. 3HF-C and 3HF-S showed not only one-component photoinitiating activity but also two-component photoinitiating activity when they were used with triethanolamine (TEOA) and iodonium salt (ONI) under safe, long-wavelength LED soft light sources. Photopolymerization kinetics reveals that photoinitiator 3HFs at low concentration exhibits the high polymerization rate and conversion. Results also showed that 3HF-S has much higher photoinitiation activity during photopolymerization compared with 3HF-OH and 3HF-C. The high extinction coefficient and aggregation-induced emission (AIE) characteristics of 3HF-S were observed, which proved that reducing the photoinitiator usage can effectively progress the photopolymerization activity. At the same time, the low usage of 3HF-S further reduces the toxicity of the cured material. Through ESR (ESR) experiment, the photoinitiation and sensitization mechanisms of these photoinitiators were observed The school badge structure of hydrogels could be successfully 3D printed with 3HF-S and the stiffness of the structure was sufficient for further processing without breaking the structure. Moreover, the use of the 3-[4,5-dimethylthiazol-2-yl]-2,5-diphenyl tetrazolium bromide (MTT) method confirmed the lower toxicity for the final photopolymer provided.

Dyes and Pigments published new progress about 10287-53-3. 10287-53-3 belongs to esters-buliding-blocks, auxiliary class Amine,Benzene,Ester, name is Ethyl 4-dimethylaminobenzoate, and the molecular formula is C14H10N2O, HPLC of Formula: 10287-53-3.

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

Simonetti, Marco published the artcileRuthenium-catalyzed C-H arylation of benzoic acids and indole carboxylic acids with aryl halides, Computed Properties of 1877-71-0, the publication is Chemistry – A European Journal (2017), 23(3), 549-553, database is CAplus and MEDLINE.

Herein we report the first Ru-catalyzed C-H arylation of benzoic acids with readily available aryl (pseudo)halides. Arenecarboxylic acids 2-MeC₆H₄CO₂H, 1-methyl-7- or 6-indolecarboxylic acids undergo ortho-directed arylation with aryl halides Ar¹X, catalyzed by [Ru(^tBuCN)₆][BPF₄]₂, giving the corresponding 6-methyl-1,1′-biphenyl-2-carboxylic 6(5)-Ar¹-7(6)-indolecarboxylic acids, resp. The reaction, which does not require the use of silver salt additives, allows the arylation of previously challenging hindered benzoic acids and the use of generally unreactive ortho-substituted haloarenes. Furthermore, our new protocol can efficiently be applied to indole carboxylic acids, thus allowing access to C7-, C6-, C5- and C4-arylated indole compounds, a departure from the classical enhanced reactivity of the C2 and C3 positions of indole.

Chemistry – A European Journal published new progress about 1877-71-0. 1877-71-0 belongs to esters-buliding-blocks, auxiliary class Carboxylic acid,Benzene,Ester, name is 3-(Methoxycarbonyl)benzoic acid, and the molecular formula is C9H4F6O, Computed Properties of 1877-71-0.

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

Vera, Paula published the artcileThe migration of NIAS from ethylene-vinyl acetate corks and their identification using gas chromatography mass spectrometry and liquid chromatography ion mobility quadrupole time-of-flight mass spectrometry, Related Products of esters-buliding-blocks, the publication is Food Chemistry (2022), 130592, database is CAplus and MEDLINE.

An exhaustive migration study of eight corks, made of ethylene-vinyl acetate, was carried out to identify any non-volatile and volatile compounds using an untargeted approach. The challenge associated with the structural elucidation of unknowns was undertaken using both ultra-high-performance liquid chromatog. coupled to an ion-mobility separation quadrupole-time of flight mass spectrometer and gas chromatog. mass spectrometry. A total of fifty compounds were observed to migrate from the corks, and among these additives such as antioxidants (Bu 4-hydroxybenzoate, Irganox 1010, Irganox 1075, Irgafos 168 and BHT) or lubricants (EBO and octadecanamide, N,N-1,2-ethanediylbis-) were identified. A high proportion (84%) of the detected compounds was non-intentionally added substances (NIAS), and included several cyclic oligomers with different chain sequences. NIAS, such as 2,6-bis(1,1-dimethylethyl)-4-Et and 7,9-ditert-butyl-1-oxaspiro[4.5]deca-6,9-diene-2,8-dione, break-down products, including hexa-, hepta- and nonadecanamide, N,N-1,2-ethanediylbis-, and oxidation products were also identified. One cork was found to be unsuitable for use as a food contact material.

Food Chemistry published new progress about 31570-04-4. 31570-04-4 belongs to esters-buliding-blocks, auxiliary class Mono-phosphine Ligands, name is Tris(2,4-di-tert-butylphenyl) phosphite, and the molecular formula is C8H15ClN2, Related Products of esters-buliding-blocks.

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

Shou, Yufeng published the artcileToward Renewable and Functional Biomedical Polymers with Tunable Degradation Rates Based on Itaconic Acid and 1,8-Octanediol, Application In Synthesis of 617-52-7, the publication is ACS Applied Polymer Materials (2021), 3(4), 1943-1955, database is CAplus.

Biomedical polymers face rigid requirements for the biocompatibility of their monomers, the final polymeric product, and their residual reagents from their synthesis schemes. However, their preparation still heavily relies on nonrenewable resources. Itaconate (ITA) is an organic acid that is used as a platform chem. for the production of numerous value-added chems. and serves as a valuable green chem. alternative to petrochem. derivatives In recent years, the multiple roles of this mol. in cell metabolism have generated great attention, particularly as a modulator of inflammation and infection. Recently, we developed a family of ITA polyesters that leverage hydrolytically driven degradation to recapitulate its biofunctionality. This renewable-based material platform warrants characterization of material properties based on synthesis conditions in order to advance their potential application. In this work, we describe the development of ITA polyesters relying on defined reaction feed ratios and reaction times. Material characterization highlighted the significant impact of changing molar feed on mol. weight, which corresponded to increased viscosity and decreased percent degradation Using 20% excess ITA monomers in the reaction led to optimal outcomes, suggesting opportunities in future material design. Leveraging this characterization, ITA polyesters can be altered through synthesis conditions to achieve appropriate and specific biopolymer applications.

ACS Applied Polymer Materials published new progress about 617-52-7. 617-52-7 belongs to esters-buliding-blocks, auxiliary class Alkenyl,Aliphatic hydrocarbon chain,Ester, name is Dimethyl itaconate, and the molecular formula is C4H11NO, Application In Synthesis of 617-52-7.

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

Linn, C. E. Jr. published the artcileMale moth sensitivity to multicomponent pheromones: critical role of female-released blend in determining the functional role of components and active space of the pheromone, Recommanded Product: (Z)-Dodec-9-en-1-yl acetate, the publication is Journal of Chemical Ecology (1986), 12(3), 659-68, database is CAplus and MEDLINE.

Male redbanded leafroller (Argyrotaenia velutinana), cabbage looper (Trichoplusia ni), and Oriental fruit moths, (Grapholita molesta) were tested in a flight tunnel for responses to (1) the major pheromone component, (2) the Z/E pheromone component mixtures for Oriental fruit moth and redbanded leafroller, and (3) and the female-released blends, over a series of dosages. Experiments were designed to test the hypothesis that male response downwind of a female is initiated by the major component and that minor components function only to elicit behaviors close to the female during close-range approach and courtship. The results did not support this hypothesis, but rather showed that males initiated upwind flight in significantly higher percentages to the complete blends of components, at all dosages, compared to single components or partial blends. Addition of minor components also significantly enhanced male perception of the major component at lower dosages, resulting in completed flights to dosages of the major component that alone did not elicit any upwind flight. Thus, minor components apparently function to enhance male sensitivity to the pheromone, and the specificity of the signal. Also, the active space of the pheromone is apparently a function of the upper and lower concentration thresholds for the blend of components, and not simply for the major component.

Journal of Chemical Ecology published new progress about 16974-11-1. 16974-11-1 belongs to esters-buliding-blocks, auxiliary class Aliphatic Chain, name is (Z)-Dodec-9-en-1-yl acetate, and the molecular formula is C14H26O2, Recommanded Product: (Z)-Dodec-9-en-1-yl acetate.

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

Bethel, Paul A. published the artcileOptimized scale up of 3-pyrimidinylpyrazolo[1,5-a]pyridine via Suzuki coupling; a general method of accessing a range of 3-(hetero)arylpyrazolo[1,5-a]pyridines, Application of 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-5h-pyrazolo[5,1-b][1,3]oxazine, the publication is Tetrahedron (2012), 68(27-28), 5434-5444, database is CAplus.

We have developed an improved synthesis of 3-(hetero)aryl pyrazolo[1,5-a]pyridines [such as 3-(2,5-dichloropyrimidin-4-yl)pyrazolo[1,5-a]pyridine (I)] via an optimized synthesis and Suzuki coupling of 3-pyrazolo[1,5-a]pyridine boronic ester (II). These conditions are applicable to both high throughput chem. and large scale synthesis of these medicinally important compounds The scope of this chem. has been further extended to include the synthesis and coupling of a novel boronic ester, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.

Tetrahedron published new progress about 1383675-83-9. 1383675-83-9 belongs to esters-buliding-blocks, auxiliary class Boronic acid and ester,Boronic acid and ester, name is 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-5h-pyrazolo[5,1-b][1,3]oxazine, and the molecular formula is C12H19BN2O3, Application of 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-5h-pyrazolo[5,1-b][1,3]oxazine.

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

Quaglia, Giulia published the artcileGreen Solvent Selection for Green-to-Blue Upconversion Based on TTA, Recommanded Product: Dimethyl adipate, the publication is ACS Sustainable Chemistry & Engineering (2022), 10(28), 9123-9130, database is CAplus.

Triplet-triplet annihilation photon upconversion (TTA-UC) of an organic mol. dye pair, 2,3,7,8,12,13,17,18-octaethyl-21H,23H-porphyrin platinum(II) (PtOEP) and 1,3,6,8-tetraphenylpyrene (TPPy), has been studied in a wide range of green solvents (alcs., esters, carbonates, ketones, aromatics, ethers, and dipolar aprotic). UC is important for the study of energy-transfer reactions where the solvent plays a crucial role. To design and process materials for future real applications, growing attention is directed to the use of green solvents, while UC with a few exceptions is generally studied using classic toxic media. In this contribution, the results obtained demonstrate that several green solvents can be valuable options to replace classic toxic counterparts, allowing the photon upconversion with efficient quantum yields also compared to a traditional solvent such as toluene. These results pave the way for the development of a more sustainable TTA-UC system as an effective tool to direct the design of modern green photovoltaic and photocatalytic reactions.

ACS Sustainable Chemistry & Engineering published new progress about 627-93-0. 627-93-0 belongs to esters-buliding-blocks, auxiliary class Ploymers, name is Dimethyl adipate, and the molecular formula is C8H14O4, Recommanded Product: Dimethyl adipate.

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

Jimenez, Tania published the artcileRadical Reduction of Epoxides Using a Titanocene(III)/Water System: Synthesis of β-Deuterated Alcohols and Their Use as Internal Standards in Food Analysis, COA of Formula: C12H14O2, the publication is European Journal of Organic Chemistry (2010), 4288-4295, S4288/1-S4288/53, database is CAplus.

Described is a comprehensive study into the Cp₂TiCl-mediated reductive epoxide ring opening using either water as a hydrogen source or deuterium oxide as a deuterium source. The remarkable chem. profile of this reaction allows access to alcs. with anti-Markovnikov regiochem. from different epoxides. The use of D₂O as a deuterium source leads to an efficient synthesis of β-deuterated alcs., including a deuterated sample of tyrosol, a bioactive compound contained in the leaves of the olive, which was successfully applied as an internal standard in food anal.

European Journal of Organic Chemistry published new progress about 5205-11-8. 5205-11-8 belongs to esters-buliding-blocks, auxiliary class Alkenyl,Benzene,Ester, name is 3-Methylbut-2-en-1-yl benzoate, and the molecular formula is C12H14O2, COA of Formula: C12H14O2.

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