Category: 118-90-1

Mermer, Arif published the artcileBenzotriazole-oxadiazole hybrid Compounds: Synthesis, anticancer Activity, molecular docking and ADME profiling studies, Recommanded Product: 2-Methylbenzoic acid, the publication is Journal of Molecular Liquids (2022), 119264, database is CAplus.

Herein the designed novel benzotriazole-oxadiazole hybrid compounds were synthesized using both conventional method and ultrasound sonication (US) as an environmentally friendly method. It was observed that the US method provided an increase in reaction yields by reducing the reaction time approx. 3-fold. The synthesized compounds were investigated against PANC-1 cell line. All obtained compounds were characterized by FT-IR, ¹H NMR, ¹³C NMR and MS spectroscopic techniques. The compounds 1-{[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl}-1H1,2,3-benzotriazole and 1-{[5-(3,4-dietoksiphenyl)-1,3,4-oxadiazol-2-yl]methyl}-1H1,2,3-benzotriazole exhibited very promising anticancer activity results with IC₅₀ values of 117.5 ¡À 0.084 ¦ÌM and 87.82 ¡À 4.319 ¦ÌM, resp. Further, mol. docking studies to suggest how the synthesized compounds interact with the kinase domain of human DDR1 in complex of pancreatic Cancer proteins (PDB ID: 6HP9), and the crystal structure of PDEd of pancreatic Cancer proteins (PDB ID: 5E80). It was concluded from the docking studies that the compound 1-{[5-(3,4-dietoksiphenyl)-1,3,4-oxadiazol-2-yl]methyl}-1H1,2,3-benzotriazole demonstrated the highest binding score values for active site of both proteins. Afterwards, ADME calculations were performed to examine the drug properties of benzotriazole-oxadiazole hybrid compounds

Journal of Molecular Liquids 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

Pfennig, Victoria S. published the artcileMechanochemical Grignard Reactions with Gaseous CO₂ and Sodium Methyl Carbonate, Formula: C8H8O2, the publication is Angewandte Chemie, International Edition (2022), 61(9), e202116514, database is CAplus and MEDLINE.

A one-pot, three-step protocol for the preparation of Grignard reagents from organobromides RBr [R = 2-naphthyl, 2-thienyl, 1-adamantyl, etc.] in a ball mill and their subsequent reactions with gaseous carbon dioxide (CO₂) or sodium Me carbonate providing aryl and alkyl carboxylic acids RC(O)OH in up to 82% yield are reported. The preparation has the short reaction times and the significantly reduced solvent amounts [2.0 equivalent for liquid assisted grinding (LAG) conditions]. Unexpectedly, aryl bromides with methoxy substituents lead to sym. ketones such as 2,2′-dimethoxybenzophenone and 2,2′,5,5′-tetramethoxybenzophenone as major products.

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 C8H8O2, Formula: C8H8O2.

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

Xu, Angelina published the artcileAbraham model description of the solubilising properties of the isopropyl acetate organic mono-solvent, Computed Properties of 118-90-1, the publication is Physics and Chemistry of Liquids (2022), 60(2), 312-324, database is CAplus.

Exptl. mole fraction solubilities are reported for acenaphthene, o-acetoacetanisidide, acetylsalicylic acid, anthracene, benzil, benzoic acid, benzoin, 4-tert-butylbenzoic acid, 3-chlorobenzoic acid, 4-chlorobenzoic acid, 2-chloro-5-nitrobenzoic acid, 4-chloro-3-nitrobenzoic acid, 3,4-dichlorobenzoic acid, 3,4-dimethoxybenzoic acid, 3,5-dinitrobenzoic acid, di-Ph sulfone, fluoranthene, 9-fluorenone, 2-hydroxybenzoic acid, 2-methoxybenzoic acid, 4-methoxybenzoic acid, 2-methylbenzoic acid, 3-methylbenzoic acid, 2-methyl-3-nitrobenzoic acid, 3-methyl-4-nitrobenzoic acid, 4-methyl-3-nitrobenzoic acid, 4-nitrobenzoic acid, pyrene, salicylamide, 3,4,5-trimethoxybenzoic acid, and xanthene dissolved in iso-Pr acetate at 298.15 K. Results of exptl. measurements, combined with published solubility data for an addnl. 11 organic compounds, were used to derive Abraham model correlations that described the solubilising properties of the iso-Pr acetate mono-solvent. The derived Abraham model correlations back-calculate the observed exptl. data to within 0.10 log units (or less).

Physics and Chemistry of Liquids 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 C7H13NO2, Computed Properties of 118-90-1.

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

Tsai, Jung-Chin published the artcileSolid-liquid equilibrium measurements using DSC for three binary mixtures of 2-methylbenzoic acid + 3-methylbenzoic acid, 2-methoxybenzoic acid + 3-methylbenzoic acid, and N-phenylacetamide + benzamide, Quality Control of 118-90-1, the publication is Fluid Phase Equilibria (2022), 113443, database is CAplus.

This study reports the solid-liquid equilibrium (SLE) data for three binary mixtures of 2-methylbenzoic acid + 3-methylbenzoic acid, 2-methoxybenzoic acid + 3-methylbenzoic acid, and N-phenylacetamide + benzamide. These phase equilibrium data were measured using the Differential Scanning Calorimetry (DSC). The solidus and liquidus temperatures for each binary mixture at various compositions are presented. All three binary mixtures show the simple eutectic behavior. The eutectic temperatures and compositions for these binary mixtures were determined using the fractional transformation method. The fractional transformation is defined as the fraction of the mixture that is liquefied during the heating process using DSC. The fractional transformation data at the eutectic point, denoted as the eutectic fraction, were evaluated from the exptl. DSC results over various time intervals during the measurements. A triangular plot of the eutectic fractions against various compositions of a binary mixture effectively illustrated the eutectic point condition. The liquidus curves for each binary system were correlated using the Wilson and NRTL (Non-Random Two-Liquid) activity coefficient models. The optimally fitted model parameters for each binary mixture are presented in this study. Satisfactory correlation results are also demonstrated for all binary systems.

Fluid Phase Equilibria 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 C9H6BrNO, Quality Control of 118-90-1.

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

Wang, Chang-Sheng published the artcileRegio- and Stereoselective Synthesis of Enol Carboxylate, Phosphate, and Sulfonate Esters via Iodo(III)functionalization of Alkynes, Related Products of catalysis-chemistry, the publication is Organic Letters (2022), 24(1), 430-434, database is CAplus and MEDLINE.

Synthesis of ¦Â-Iodo(III)enol carboxylates, I (R¹ = Et, Me, Bu, t-Bu; R² = Et, Ph, thiophen-2-yl, etc.; R³ = 4-oxopentanoyl, benzoyl, 2,2-dimethylpropyl, etc.) phosphates, I (R³ = diethoxyphosphoroso, diphenoxyphosphoroso, dimethoxyphosphoroso, diphenylphosphoroso) and tosylates I (R³ = Ts) can be efficiently performed through regio- and stereoselective iodo(III)functionalization of alkynes R¹CCR². The combination of 1,2-benziodoxole, 1-chloro-1,3-dihydro-3,3-bis(trifluoromethyl)- and silver salt has proven to generate a versatile cationic iodine(III) electrophile to activate alkynes and engage various carboxylic acids R⁴COOH (R⁴ = Me, Ph, 2-phenylethenyl, etc.), tri-Et phosphate and p-toluenesulfonic acid as nucleophiles. The ¦Â-iodo(III)enol esters serve as starting materials for the synthesis of multisubstituted alkenes I through sequential cross-coupling of the C-I(III) and C-O bonds.

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 C12H16N2O2, Related Products of catalysis-chemistry.

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

Hyodo, Yuki published the artcileAssemblies of 1,4-Bis(diarylamino)naphthalenes and Aromatic Amphiphiles: Highly Reducing Photoredox Catalysis in Water, COA of Formula: C8H8O2, the publication is Synlett (2022), 33(12), 1184-1188, database is CAplus.

Host-guest assemblies of a designed 1,4-bis(diarylamino)naphthalene and V-shaped aromatic amphiphiles consisting of two pentamethylbenzene moieties bridged by an m-phenylene unit bearing two hydrophilic side chains emerged as highly reducing photoredox catalysis systems in water. An efficient demethoxylative hydrogen transfer of Weinreb amides had been developed. The present supramol. strategy permitted facile tuning of visible-light photoredox catalysis in water.

Synlett 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

Thoke, Mahesh Bhagwan published the artcileUnimolecular cooperative metallaphotocatalysis with conjugately bridged Ir-Ni complexes and its applications in organic coupling reactions, Safety of 2-Methylbenzoic acid, the publication is Organic Chemistry Frontiers (2022), 9(7), 1797-1807, database is CAplus.

Recent advances successfully upgraded the unique cooperative partnership between two distinct metals in photocatalysis. Herein we report the design, synthesis and comprehensive study of a series of heteroleptic Ir(III) complexes with a pendant binding site for nickel. The neutral Ir¡¤L^pytz complexes are apt to generate a novel unimol. Ir-Ni bimetallic system in situ during photocatalytic organic transformations where the pyridyl triazole ligand (L^pytz) acts as the conjugated bridge between Ir and Ni metal centers. A comparative study revealed that the bimetallic unimol. system with a conjugated linker is a convenient alternative to a bimol. system. UV-visible and photoluminescence quenching studies showed the importance of the conjugated bridging ligand to vectorial transfer of electrons from the photosensitizer unit to the reaction site. All novel Ir¡¤L^pytz complexes were evaluated in three challenging, mechanistically distinct photoinduced cross-coupling reactions (C-O, C-S and C-N) to demonstrate the enormous potential of a conjugately bridged Ir-Ni catalytic system, thus representing an alternative unimol. bimetallic strategy for photocatalytic Ni mediated cross-coupling reactions.

Organic Chemistry Frontiers 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 C6H6N2O, Safety of 2-Methylbenzoic acid.

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

Scott, Jason A. published the artcileOptimization of a Pyrimidinone Series for Selective Inhibition of Ca²⁺/Calmodulin-Stimulated Adenylyl Cyclase 1 Activity for the Treatment of Chronic Pain, Product Details of C8H8O2, the publication is Journal of Medicinal Chemistry (2022), 65(6), 4667-4686, database is CAplus and MEDLINE.

Adenylyl cyclase type 1 (AC1) is involved in signaling for chronic pain sensitization in the central nervous system and is an emerging target for the treatment of chronic pain. AC1 and a closely related isoform AC8 are also implicated to have roles in learning and memory signaling processes. Our team has carried out cellular screening for inhibitors of AC1 yielding a pyrazolyl-pyrimidinone scaffold with low micromolar potency against AC1 and selectivity vs. AC8. Structure-activity relationship (SAR) studies led to analogs with cellular IC₅₀ values as low as 0.25 ¦ÌM, selectivity vs. AC8 and other AC isoforms as well as other common neurol. targets. A representative analog displayed modest antiallodynic effects in a mouse model of inflammatory pain. This series represents the most potent and selective inhibitors of Ca²⁺/calmodulin-stimulated AC1 activity to date with improved drug-like physicochem. properties making them potential lead compounds for the treatment of inflammatory pain.

Journal of Medicinal 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 C14H15BF3NO2, Product Details of C8H8O2.

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

Li, Yantao published the artcileHighly selective synthesis of all-carbon tetrasubstituted alkenes by deoxygenative alkenylation of carboxylic acids, Application In Synthesis of 118-90-1, the publication is Nature Communications (2022), 13(1), 10, database is CAplus and MEDLINE.

The synthesis of all-carbon tetrasubstituted olefins under mild reaction conditions is challenging because of the inevitable issues including significant steric hindrance and the uncontrolled Z/E stereoselectivity. In this paper, authors report the synthesis of all-carbon tetrasubstituted alkenes from readily available carboxylic acids and alkenyl triflates with the synergistic catalysis of cyclo-octa-1,5-diene(tetramethyl-1,4-benzoquinone)nickel and visible light under an air atm., thus avoiding the need for a glovebox or a Schlenk line. A wide range of aromatic carboxylic acids and cyclic and acyclic alkenyl triflates underwent the C-C coupling process smoothly, forming structurally diverse alkenes stereospecifically in moderate to good yields. The practicality of the method is further illustrated by the late-stage modification of complex mols., the one pot synthesis and gram-scale applications. This is an important step towards the valuable utilization of carboxylic acids, and it also simplifies the exptl. operation of metallophotoredox catalysis with moisture sensitive nickel(0) catalysis.

Nature Communications 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, Application In Synthesis of 118-90-1.

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

Toth, Balazs L. published the artcileZ-Selective Fluoroalkenylation of (Hetero)Aromatic Systems by Iodonium Reagents in Palladium-Catalyzed Directed C-H Activation, Related Products of catalysis-chemistry, the publication is Advanced Synthesis & Catalysis (2022), 364(2), 348-354, database is CAplus.

Herein, a stereoselective procedure for direct fluorovinylation of aromatic and heteroaromatic scaffolds is reported. This methodol. development has been realized by palladium-catalyzed ortho C-H activation reaction of a variety of aniline derivatives featuring the regioselectivity via directing groups such as secondary of tertiary amides, ureas or ketones. The application of non-sym. aryl(fluoroalkenyl)iodonium salts as fluoroalkenylating agents allowed mild reaction conditions in general for this transformation. The scope and limitations have been thoroughly investigated and the feasibility has been demonstrated by more than 50 examples.

Advanced Synthesis & Catalysis 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 C15H19BO2, Related Products of catalysis-chemistry.

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