Category: 118-90-1

Yu, Mingming published the artcileElectrochemical-induced benzyl C-H amination towards the synthesis of isoindolinones via aroyloxy radical-mediated C-H activation, Recommanded Product: 2-Methylbenzoic acid, the publication is Green Chemistry (2022), 24(4), 1445-1450, database is CAplus.

A novel electrochem. strategy to selectively and sustainably access isoindolinones I [R¹ = H, 7-Me, 5-F, etc.; R² = H, Me, Et, n-Pr, i-Pr, n-Bu; R³ = Me, n-Pr, i-Pr, n-Bu, cyclopropyl, CD₃] using simple o-alkyl benzoic acids and nitriles as substrates under metal catalyst and external oxidant-free conditions was developed. Meanwhile, nitrile as the nitrogen source plays a vital role, as its derived intermediate facilitates the construction of the amide bond in the product. Mechanistic investigations suggest that aroyloxy radicals were involved in this transformation, which initiated the benzylic C-H amination event by a 1,5-HAT process. The protocol showed a very good functional group tolerance.

Green Chemistry published new progress about 118-90-1. 118-90-1 belongs to catalysis-chemistry, auxiliary class Carboxylic acid,Benzene,Natural product, name is 2-Methylbenzoic acid, and the molecular formula is C20H28B2O4S2, Recommanded Product: 2-Methylbenzoic acid.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Sala-Carvalho, Wilton R. published the artcileMetabolome of Ceratodon purpureus (Hedw.) Brid., a cosmopolitan moss: the influence of seasonality, Recommanded Product: 2-Methylbenzoic acid, the publication is Planta (2022), 255(4), 77, database is CAplus and MEDLINE.

Ceratodon purpureus showed changes in disaccharides, flavonoids, and carotenoids throughout annual seasons. These changes indicate harsher environmental conditions during the dry period, directing metabolic precursors to enhance the antioxidant system. Bryophytes are a group of land plants comprising mosses (Bryophyta), liverworts (Marchantyophyta), and hornworts (Antocerotophyta). This study uses the mol. networking approach to investigate the influence of seasonality (dry and rainy seasons) on the metabolome and redox status of the moss Ceratodon purpureus (Hedw.) Brid., from Campos do Jordao, Brazil. Samples of C. purpureus were submitted to three extraction methods: 80% methanol producing the soluble fraction (intracellular compounds), followed by debris hydrolysis using sodium hydroxide producing the insoluble fraction (cell wall conjugated compounds), both analyzed by HPLC-MS; and extraction using pre-cooled methanol, separated into polar and non-polar fractions, being both analyzed by GC-MS. All fractions were processed using the Global Natural Product Social Mol. Network (GNPS). The redox status was assessed by the anal. of four enzyme activities combined with the anal. of the contents of ascorbate, glutathione, carotenoids, reactive oxygen species (ROS), and malondialdehyde acid (MDA). During the dry period, there was an increase of most biflavonoids, as well as phospholipids, disaccharides, long-chain fatty acids, carotenoids, antioxidant enzymes, ROS, and MDA. Results indicate that C. purpureus is under harsher environmental conditions during the dry period, mainly due to low temperature and less water availability (low rainfall).

Planta published new progress about 118-90-1. 118-90-1 belongs to catalysis-chemistry, auxiliary class Carboxylic acid,Benzene,Natural product, name is 2-Methylbenzoic acid, and the molecular formula is C8H8O2, Recommanded Product: 2-Methylbenzoic acid.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Su, Junqi published the artcileGeneration of oxyphosphonium ions by photoredox/cobaloxime catalysis for scalable amide and peptide synthesis in batch and continuous-flow, HPLC of Formula: 118-90-1, the publication is Angewandte Chemie, International Edition (2022), 61(5), e202112668, database is CAplus and MEDLINE.

Phosphine-mediated deoxygenative nucleophilic substitutions, such as the Mitsunobu reaction, are of great importance in organic synthesis. However, the conventional protocols require stoichiometric oxidants to trigger the formation of the oxyphosphonium intermediates for the subsequent nucleophilic additions Through dual catalysis of photoredox and cobaloxime, we realized a radical strategy for the catalytic formation of acyloxyphosphonium ions that enables direct amidation. The deoxygenative protocol exhibits a broad scope and has been used in the late-stage amidation of drug mols. In addition to batch reactions, a continuous-flow reactor was developed, enabling rapid peptide synthesis on gram scale. The successful assembly of a tetrapeptide on the solid support further demonstrated the versatility of this photocatalytic system. Moreover, exptl. and computational studies are consistent with the hypothesis of acyloxyphosphonium ions being formed as the key intermediates.

Angewandte Chemie, International Edition published new progress about 118-90-1. 118-90-1 belongs to catalysis-chemistry, auxiliary class Carboxylic acid,Benzene,Natural product, name is 2-Methylbenzoic acid, and the molecular formula is C4H6O3, HPLC of Formula: 118-90-1.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Wilkinson, Matthew R. published the artcileImages of chemical structures as molecular representations for deep learning, Name: 2-Methylbenzoic acid, the publication is Journal of Materials Research (2022), 37(14), 2293-2303, database is CAplus.

Implementing Artificial Intelligence for chem. applications provides a wealth of opportunity for materials discovery, healthcare and smart manufacturing For such applications to be successful, it is necessary to translate the properties of mols. into a digital format so they can be passed to the algorithms used for smart modeling. The literature has shown a wealth of different strategies for this task, yet there remains a host of limitations. To overcome these challenges, we present two-dimensional images of chem. structures as mol. representations. This methodol. was evaluated against other techniques in both classification and regression tasks. Images unlocked (1) superior augmentation strategies, (2) application of specialist network architectures and (3) transfer learning, all contributing to superior performance and without prior specialised knowledge on cheminformatics required. This work takes advantage of image feature maps which do not rely on chem. properties and so can represent multi-component systems without further property calculations

Journal of Materials Research published new progress about 118-90-1. 118-90-1 belongs to catalysis-chemistry, auxiliary class Carboxylic acid,Benzene,Natural product, name is 2-Methylbenzoic acid, and the molecular formula is C6H5NO, Name: 2-Methylbenzoic acid.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Chen, Yifang published the artcileDesign and synthesis novel amide derivatives containing an 1,3,4-oxadiazole moiety as potential antibacterial agents, Category: catalysis-chemistry, the publication is Journal of Heterocyclic Chemistry (2022), 59(7), 1160-1168, database is CAplus.

To find new antibacterial agents, 25 novel amide derivatives containing an 1,3,4-oxadiazole moiety were designed and synthesized, and their antibacterial activity against Xanthomonas oryzae pv. oryzicola (Xoc) and Xanthomonas oryzae pv. oryzae (Xoo) were tested. Interestingly, all target compounds showed excellent antibacterial activities against Xoc and Xoo. The EC₅₀ values of compounds against Xoc and Xoo were 1.2-4.0 mg/L and 0.5-2.3 mg/L, resp., which were significantly superior to those of the thiodiazole copper (95.1 and 89.0 mg/L) and bismerthhibol (73.8 and 68.8 mg/L). For example, the EC₅₀ values of compound I against Xoc and Xoo were 1.7 and 0.5 mg/L, resp. Meanwhile, the curative and protection activity of compound I against rice bacterial leaf blight were 42.4% and 42.1%, resp., which were superior to the control of jiahuangxianjunzuo (34.1% and 32.6%) and thiodiazole copper (33.0% and 27.1%). In addition, compound I might suppress the cell growth of Xoo by inhibiting the production of extracellular polysaccharide, the formation of biofilm, changes the cell membrane permeability, and cell surface morphol.

Journal of Heterocyclic Chemistry published new progress about 118-90-1. 118-90-1 belongs to catalysis-chemistry, auxiliary class Carboxylic acid,Benzene,Natural product, name is 2-Methylbenzoic acid, and the molecular formula is C8H8O2, Category: catalysis-chemistry.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Xu, Shuran published the artcileIridium-Catalyzed Formal [4+1] Annulation of Benzamides and Cyclopropanols to Afford Isoindolin-1-one Derivatives via C-H Activation, Quality Control of 118-90-1, the publication is Synthesis (2022), 54(13), 3015-3024, database is CAplus.

An synthesis of 3-(2-oxo-2-phenylethyl)isoindolin-1-ones I [R¹ = H, 5-OMe, 7-Me, etc.; R² = Ph, 2-MeC₆H₄, 4-FC₆H₄, etc.] via iridium-catalyzed reaction protocol was developed to achieve the oxidative C-H/N-H annulation of benzamides with cyclopropanols as C1 synthon. Structurally diverse isoindolin-1-ones were furnished via sequential C-H/C-C cleavage and C-C/C-N bond formation.

Synthesis published new progress about 118-90-1. 118-90-1 belongs to catalysis-chemistry, auxiliary class Carboxylic acid,Benzene,Natural product, name is 2-Methylbenzoic acid, and the molecular formula is C6H12O2, Quality Control of 118-90-1.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Hu, Wen-Yang published the artcilePer- and polyfluoroalkyl substances target and alter human prostate stem-progenitor cells, Computed Properties of 118-90-1, the publication is Biochemical Pharmacology (Amsterdam, Netherlands) (2022), 114902, database is CAplus and MEDLINE.

Per- and polyfluorinated alkyl substances (PFAS) are a large family of widely used synthetic chems. that are environmentally and biol. persistent and present in most individuals. Chronic PFAS exposure have been linked to increased prostate cancer risk in occupational settings, however, underlying mechanisms have not been interrogated. Herein we examined exposure of normal human prostate stem-progenitor cells (SPCs) to 10 nM PFOA or PFOS using serial passage of prostasphere cultures. Exposure to either PFAS for 3-4 wk increased spheroid numbers and size indicative of elevated stem cell self-renewal and progenitor cell proliferation. Transcriptome anal. using single-cell RNA sequencing (scRNA-seq) showed 1) SPC expression of PPARs and RXRs able to mediate PFAS effects, 2) the emergence of a new cell cluster of aberrantly differentiated luminal progenitor cells upon PFOS/PFOA exposure, and 3) enrichment of cancer-associated signaling pathways. Metabolomic anal. of PFAS-exposed prostaspheres revealed increased glycolytic pathways including the Warburg effect as well as strong enrichment of serine and glycine metabolism which may promote a pre-malignant SPC fate. Finally, growth of in vivo xenografts of tumorigenic RWPE-2 human prostate cells, shown to contain cancer stem-like cells, was markedly enhanced by daily PFOS feeding to nude mice hosts. Together, these findings are the first to identify human prostate SPCs as direct PFAS targets with resultant reprogrammed transcriptomes and metabolomes that augment a preneoplastic state and may contribute to an elevated prostate cancer risk with chronic exposures.

Biochemical Pharmacology (Amsterdam, Netherlands) published new progress about 118-90-1. 118-90-1 belongs to catalysis-chemistry, auxiliary class Carboxylic acid,Benzene,Natural product, name is 2-Methylbenzoic acid, and the molecular formula is C8H8O2, Computed Properties of 118-90-1.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Liao, Wei-Jr published the artcileSite-Selective Acylation of Phenols Mediated by a Thioacid Surrogate through Sodium Thiosulfate Catalysis, Computed Properties of 118-90-1, the publication is Organic Letters (2022), 24(23), 4207-4211, database is CAplus and MEDLINE.

Sodium thiosulfate was used as the sulfur source that reacts with anhydrides to generate acyl-Bunte salts, after which a reaction with phenols was induced. This protocol can be applied for the site-selective acylation of the phenolic hydroxyl group in the presence of other alc. groups. The advantages of this acylation method are operational simplicity, high efficiency, and the use of odorless reagents with low toxicity.

Organic Letters published new progress about 118-90-1. 118-90-1 belongs to catalysis-chemistry, auxiliary class Carboxylic acid,Benzene,Natural product, name is 2-Methylbenzoic acid, and the molecular formula is C8H8O2, Computed Properties of 118-90-1.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Liang, Jing-wei published the artcileSynthesis and identification of a novel skeleton of N-(pyridin-3-yl) proline as a selective CDK4/6 inhibitor with anti-breast cancer activities, COA of Formula: C8H8O2, the publication is Bioorganic Chemistry (2022), 105547, database is CAplus and MEDLINE.

CDK4/6 were attractive chemotherapeutic targets for the treatment of malignant tumors, CDK4/6 selective inhibitors have made outstanding contributions in the treatment of breast cancer. However, these inhibitors share a single skeleton of N-(pyridin-2-yl) pyrimidin-2-amine which cannot overcome the side effects in clin. application. In our previous study, an N¡ä- acetylpyrrolidine-1-carbohydrazide was hit as the initial fragment by analyzing the active site characteristics of CDK6. Two series of N-(pyridin-3-yl) proline were obtained by fragment growth method. The QSAR study was carried out according to the in vitro activities data against CDK4/6, and two compounds (R)-1-(2-(2-chlorobenzoyl)hydrazine-1-carbonyl)-N-(pyridin-3-yl) pyrrolidine-2-carboxamide and (R)-1-(2-(4-nitrobenzoyl)hydrazine-1-carbonyl)-N-(pyridin-3-yl) pyrrolidine-2-carboxamide with potent inhibitory activities were found to interact with CDK4 in different binding conformation. They showed potential inhibition of cell proliferation against the breast cancer cell, and 7c exhibited promised anti-breast cancer effect in vivo.

Bioorganic Chemistry published new progress about 118-90-1. 118-90-1 belongs to catalysis-chemistry, auxiliary class Carboxylic acid,Benzene,Natural product, name is 2-Methylbenzoic acid, and the molecular formula is C8H8O2, COA of Formula: C8H8O2.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Li, Xin-Ran published the artcileSequential Cobalt/Rhodium-Catalyzed Tandem Cyclization of Aromatic Aldehydes with Acrylates for Preparing 3-Substituted Phthalides in Oxygen Atmosphere and Neat Water, Synthetic Route of 118-90-1, the publication is Asian Journal of Organic Chemistry (2022), 11(2), e202100725, database is CAplus.

Metal-catalyzed C-H activation/tandem reactions of aromatic acids and functionalized alkenes is profound for constructing phthalide skeleton. However, most of these reactions employ stoichiometric amounts of metal additives and metal oxidants/toxic organic solvents. Herein, a sequential cobalt/rhodium-catalyzed tandem cyclization of aromatic aldehydes and acrylates for preparing 3-substituted phthalides in one pot has been described. This protocol features the use of water as a sustainable solvent and oxygen as the singular oxidant free of any additives. The use of aromatic aldehydes instead of aromatic acids as starting materials renders this route high atom economy, and the formation of water as a sole byproduct makes this process practical and environmentally benign.

Asian Journal of Organic Chemistry published new progress about 118-90-1. 118-90-1 belongs to catalysis-chemistry, auxiliary class Carboxylic acid,Benzene,Natural product, name is 2-Methylbenzoic acid, and the molecular formula is C8H8O2, Synthetic Route of 118-90-1.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia