pyrazoles-derivatives

Mills, L. Reginald; Graham, Joshua M.; Patel, Purvish; Rousseaux, Sophie A. L. published the artcile< Ni-Catalyzed Reductive Cyanation of Aryl Halides and Phenol Derivatives via Transnitrilation>, Related Products of 13788-92-6, the main research area is benzonitrile preparation; aryl halide phenol methyl phenyl malononitrile reductive cyanation; nickel catalyst.

Herein, Ni-catalyzed reductive coupling for the synthesis of benzonitriles from aryl(pseudo)halides and an electrophilic cyanating reagent, 2-methyl-2-Ph malononitrile (MPMN) is reported. MPMN is a bench-stable, carbon-bound electrophilic CN reagent that does not release cyanide under the reaction conditions. A variety of medicinally relevant benzonitriles can be made in good yields. Addition of NaBr to the reaction mixture allows for the use of more challenging aryl electrophiles such as aryl chlorides, tosylates, and triflates. Mechanistic investigations suggest that NaBr plays a role in facilitating oxidative addition with these substrates.

Journal of the American Chemical Society published new progress about Aromatic nitriles Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 13788-92-6 belongs to class pyrazoles-derivatives, and the molecular formula is C9H7BrN2, Related Products of 13788-92-6.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Machado, Antonio S.; de Carvalho, Flavio S.; Mouraa, Rayssa B. P.; Chaves, Lorrayne S.; Liao, Luciano M.; Sanz, German; Vaz, Boniek G.; Rodrigues, Marcella F.; Romao, Wanderson; Menegatti, Ricardo; Silva, Gloria N. S. published the artcile< Comparison of Conventional and Microwave Synthesis of Phenyl-1H-pyrazoles and Phenyl-1H-pyrazoles-4-carboxylic Acid Derivatives>, Name: 1-(4-Bromophenyl)-1H-pyrazole, the main research area is carboxylic acid phenyl pyrazole preparation green chem microwave irradiation; carbaldehyde phenyl pyrazole oxidation; phenyl pyrazole preparation green chem microwave irradiation; phenylhydrazine tetramethoxypropane heterocyclization; Pyrazole; conventional heating; heterocycle; microwave irradiation.; privileged scaffolds; synthesis.

The purpose of this study was the optimization of the conventional synthesis of the pyrazole rings I (R1 = H) and the oxidation of phenyl-1H-pyrazole-4-carbaldehydes I (R = H, 2-Cl, 3-Br, 4-CF3, etc.; R1 = CHO) to phenyl-1H-pyrazole-4-carboxylic acids I (R1 = COOH) through Microwave- Assisted Organic Synthesis (MAOS). A comparison between conventional synthesis and conventional synthesis with microwave heating using the synthesis method of pyrazole ring described by Finar and Godfrey and for the oxidation of phenyl-1H-pyrazole-4-carbaldehyde, and the method described by Shriner and Kleiderer was used. MAOS reduces the reaction time to obtain all compounds compared to conventional heating. At a temperature of 60°C, 5 min of reaction time, and power of 50 W, the yield of phenyl-1H-pyrazoles I (R1 = H) was in the range of 91 – 98% using MAOS, which is better than conventional heating (72 – 90%, 75°C, 2 h). An improvement in the yield for the oxidation reaction was also achieved with MAOS. The compounds I (R1 = COOH) were obtained with yields ranging from 62 – 92% (80°C, 2 min, 150 W), while the yields with conventional heating were in the range of 48 – 85% (80°C, 1 h). The 26 compounds I were achieved through an easy work-up procedure with no chromatog. separation

Current Organic Synthesis published new progress about Aromatic carboxylic acids Role: SPN (Synthetic Preparation), PREP (Preparation). 13788-92-6 belongs to class pyrazoles-derivatives, and the molecular formula is C9H7BrN2, Name: 1-(4-Bromophenyl)-1H-pyrazole.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Zheng, Yanling; Long, Yang; Gong, Huihua; Xu, Jiaqi; Zhang, Chunchun; Fu, Haiyan; Zheng, Xueli; Chen, Hua; Li, Ruixiang published the artcile< Ruthenium-Catalyzed Divergent Acceptorless Dehydrogenative Coupling of 1,3-Diols with Arylhydrazines: Synthesis of Pyrazoles and 2-Pyrazolines>, Synthetic Route of 13788-92-6, the main research area is propanediol phenylhydrazine ruthenium catalyst dehydrogenative coupling reaction; pyrazole preparation; pyrazoline preparation.

Herein, the divergent transformations of 1,3-diols with arylhydrazines via acceptorless dehydrogenative coupling reactions to selectively synthesize pyrazoles and 2-pyrazolines were reported, which were based on Ru3(CO)12/NHC-phosphine-phosphine catalytic systems. The reactions featured low catalyst loading, high selectivity, wide substrate scope, and good yields, with only water and hydrogen gas (H2) as the byproducts.

Organic Letters published new progress about Hydrazines Role: RCT (Reactant), RACT (Reactant or Reagent). 13788-92-6 belongs to class pyrazoles-derivatives, and the molecular formula is C9H7BrN2, Synthetic Route of 13788-92-6.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Aguilar-parrilla, Francisco; Cativiela, Carlos; Diaz de Villegas, M. Dolores; Elguero, Jose; Foces-Foces, Concepcion; Garcia Laureiro, Jose Ignacio; Hernandez Cano, Felix; Limbach, Hans Heinrich; Smith, John A. S.; Toiron, Catherine published the artcile< The tautomerism of 3(5)-phenylpyrazoles: an experimental (proton, carbon-13, and nitrogen-15 NMR and x-ray crystallography) study>, Category: pyrazoles-derivatives, the main research area is tautomerism pyrazole derivative multinuclear NMR; association pyrazole derivative.

3(5)-Phenyl- and 5(3)-methyl-3(5)-phenylpyrazole have been studied using multinuclear NMR spectroscopy at low temperature to determine the tautomeric equilibrium constants in the slow proton exchange regime by simple signal integration. To compare the results in solution and in the solid state, the x-ray structure of 4-bromo-3-phenylpyrazole was determined 3(5)-Phenylpyrazoles exist in solution as mixtures rich in the 3-Ph tautomer, which is also the tautomer present in the solid state, whereas they form monomers which are hydrogen bonded to the solvent in liquids like THF and self-associate in inert solvents.

Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999) published new progress about Hydrogen bond. 13808-65-6 belongs to class pyrazoles-derivatives, and the molecular formula is C9H7BrN2, Category: pyrazoles-derivatives.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Browne, Duncan L.; Helm, Matthew D.; Plant, Andrew; Harrity, Joseph P. A. published the artcile< A sydnone cycloaddition route to pyrazole boronic esters>, SDS of cas: 1002334-12-4, the main research area is pyrazole boronate preparation cycloaddition dipolar sydnone alkynylboronate; regioselectivity dipolar cycloaddition alkynylboronate sydnone preparation pyrazolylboronic acid.

Regioselective 1,3-cycloaddition of N-methylsydnone with alkynylboronates gave 4-pyrazolylboronic acids. Cycloaddition of pinacol alkynylboronate R1CCB(OCMe2)2 with 3-R1-5-oxy-1,2,3-oxadiazole (N-R1-sydnone) in xylene at reflux gave 1-R1-3-R2-4-B(OCMe2)-1H-pyrazoles (3a-12a; R1 = Ph, 4-MeOC6H4, 4-NO2C6H4; R2 = Ph, Bu, Me3Si, H) together with their regioisomeric 1-R1-4-R2-3-B(OCMe2)-1H-pyrazoles (3b-12b, same R1, R2) with 54-83% yields and 2:1 to 100% a/b regioselectivity. Functionalization of the products by Suzuki coupling and N-deprotection processes highlight the potential synthetic utility of these species.

Angewandte Chemie, International Edition published new progress about 1,3-Dipolar cycloaddition reaction. 1002334-12-4 belongs to class pyrazoles-derivatives, and the molecular formula is C15H19BN2O2, SDS of cas: 1002334-12-4.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Rajabzadeh, Maryam; Najdi, Nahid; Zarei, Zeinab; Khalifeh, Reza published the artcile< CuI Immobilized on Tricationic Ionic Liquid Anchored on Functionalized Magnetic Hydrotalcite (Fe3O4/HT-TIL-CuI) as a Novel, Magnetic and Efficient Nanocatalyst for Ullmann-Type C-N Coupling Reaction>, Application In Synthesis of 13788-92-6, the main research area is magnetic nanocatalyst hydrotalcite tricationic ionic liquid Ullmann type reaction.

One of the most important reactions in organic synthesis is Ullmann-type C-N coupling reaction which has been used for preparation of numerous biol. active compounds In this work, CuI immobilized on tricationic ionic liquid anchored on functionalized magnetic hydrotalcite (Fe3O4/HT-TIL-CuI) has been successfully prepared and fully characterized by different techniques, including fourier-transform IR spectroscopy, vibrating sample magnetometer, thermo gravimetric anal., transmission electron microscopy, field-emission SEM, energy dispersive X-ray spectroscopy, elemental mapping, zeta potential, X-ray diffraction, temperature programed desorption of ammonia (NH3-TPD), temperature-programmed reduction and inductively coupled plasma. The results showed that the as-prepared nanocatalyst possesses plate-like morphol. with approx. size of 50 nm and superparamagnetic behavior. Also, total acidity and total hydrogen consumption of the nanocatalyst were measured to be 8.5 and 1.41 mmol g-1, resp. This nanocatalyst exhibited favorable performance for C-N coupling reaction among a variety of aryl halides and N(H)-heterocycles (benzimidazoles, pyrazoles and triazoles) in the presence of 2.5 mol% of nanocatalyst without any additives under air atm. revealing high yields in all cases. Besides, it is noted that in the present system the desired product can be easily and quickly isolated and nanocatalyst also recovered magnetically from the reaction mixture employing a permanent magnet for at least six consecutive trials without a discernible decrease in catalytic activity which makes the proposed methodol. appropriate for industrial. The findings demonstrated the advantages of the present method as no need for neutral atm., appropriate times, recyclability of the catalyst, broad substrate scope, minimization of chem. waste, simple purification of products, easy workup process, and high yields.

Journal of Inorganic and Organometallic Polymers and Materials published new progress about Coupling reaction. 13788-92-6 belongs to class pyrazoles-derivatives, and the molecular formula is C9H7BrN2, Application In Synthesis of 13788-92-6.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Wijnberger, C.; Habraken, Clarisse L. published the artcile< Pyrazoles. VI. Electron-releasing capacity of the pyrazole ring>, Application In Synthesis of 17827-61-1, the main research area is pyrazoles electron releasing capacity.

Uv and 1H N.M.R. spectral data and C : O frequencies of some methylpyrazoles containing in the 3-, 4- or 5-position, a formyl-, acetyl- or ethoxycarbonyl group are reported. These data confirm earlier conclusions that, in particular, the 4-pyrazolyl group acts as an electron releasing group. The syntheses of a number of formyl-, acetyl- and ethoxycarbonyl pyrazoles are described. In addition, some 4-dicyanovinyl- and 4-tricvanovinylpyrazoles were investigated.

Journal of Heterocyclic Chemistry published new progress about 17827-61-1. 17827-61-1 belongs to class pyrazoles-derivatives, and the molecular formula is C6H8N2O2, Application In Synthesis of 17827-61-1.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Yu, Mingfeng; Teo, Theodosia; Yang, Yuchao; Li, Manjun; Long, Yi; Philip, Stephen; Noll, Benjamin; Heinemann, Gary K.; Diab, Sarah; Eldi, Preethi; Mekonnen, Laychiluh; Anshabo, Abel T.; Rahaman, Muhammed H.; Milne, Robert; Hayball, John D.; Wang, Shudong published the artcile< Potent and orally bioavailable CDK8 inhibitors: Design, synthesis, structure-activity relationship analysis and biological evaluation>, Reference of 1002334-12-4, the main research area is pyridine preparation structure activity relationship biol evaluation CDK8 inhibitor; CDK8 inhibitor; Drug-like properties; Pharmacokinetics; Structure-activity relationship; Toxicity.

CDK8 regulates transcription either by phosphorylation of transcription factors or, as part of a four-subunit kinase module, through a reversible association of the kinase module with the Mediator complex, a highly conserved transcriptional coactivator. Deregulation of CDK8 has been found in various types of human cancer, while the role of CDK8 in suppressing anti-cancer response of natural killer cells is being understood. Currently, CDK8-targeting cancer drugs are highly sought-after. Herein authors detail the discovery of a series of novel pyridine-derived CDK8 inhibitors. Medicinal chem. optimization gave rise to I (AU1-100), a potent CDK8 inhibitor with oral bioavailability. The compound inhibited the proliferation of MV4-11 acute myeloid leukemia cells with the kinase activity of cellular CDK8 dampened. No systemic toxicol. was observed in the mice treated with I. These results warrant further pre-clin. studies of I as an anti-cancer agent.

European Journal of Medicinal Chemistry published new progress about Antitumor agents. 1002334-12-4 belongs to class pyrazoles-derivatives, and the molecular formula is C15H19BN2O2, Reference of 1002334-12-4.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Ochiai, Hiroshi; Ishida, Akiharu; Ohtani, Tazumi; Kusumi, Kensuke; Kishikawa, Katuya; Yamamoto, Susumu; Takeda, Hiroshi; Obata, Takaaki; Nakai, Hisao; Toda, Masaaki published the artcile< Discovery of new orally active phosphodiesterase (PDE4) inhibitors>, COA of Formula: C7H11N3, the main research area is phosphodiesterase PDE4 inhibitor discovery oral antiinflammatory; anilinopyrazolopyridine derivative preparation PDE4 inhibiting structure subtype selectivity.

A series of 4-anilinopyrazolopyridine derivatives were synthesized and biol. evaluated as inhibitors of phosphodiesterase (PDE4). Chem. modification of 3, a structurally new chem. lead that was found in our inhouse library, was focused on 1- and 3-substituents. Full details of the discovery of a new orally active chem. lead 5 are presented. Structure-activity relationship data, pharmacol. evaluation, and the subtype selectivity study are also presented.

Chemical & Pharmaceutical Bulletin published new progress about Anti-inflammatory agents. 118430-74-3 belongs to class pyrazoles-derivatives, and the molecular formula is C7H11N3, COA of Formula: C7H11N3.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Chen, Ying-Chu; Faver, John C.; Ku, Angela F.; Miklossy, Gabriella; Riehle, Kevin; Bohren, Kurt M.; Ucisik, Melek N.; Matzuk, Martin M.; Yu, Zhifeng; Simmons, Nicholas published the artcile< C-N Coupling of DNA-Conjugated (Hetero)aryl Bromides and Chlorides for DNA-Encoded Chemical Library Synthesis>, Application of C7H11N3, the main research area is DNA encoded heteroaryl amide library synthesis.

DNA-encoded chem. library (DECL) screens are a rapid and economical tool to identify chem. starting points for drug discovery. As a robust transformation for drug discovery, palladium-catalyzed C-N coupling is a valuable synthetic method for the construction of DECL chem. matter; however, currently disclosed methods have only been demonstrated on DNA-attached (hetero)aromatic iodide and bromide electrophiles. We developed conditions utilizing an N-heterocyclic carbene-palladium catalyst that extends this reaction to the coupling of DNA-conjugated (hetero)aromatic chlorides with (hetero)aromatic and select aliphatic amine nucleophiles. In addition, we evaluated steric and electronic effects within this catalyst series, carried out a large substrate scope study on two representative (hetero)aryl bromides, and applied this newly developed method within the construction of a 63 million-membered DECL.

Bioconjugate Chemistry published new progress about Anilines Role: CMB (Combinatorial Study), RCT (Reactant), RACT (Reactant or Reagent). 118430-74-3 belongs to class pyrazoles-derivatives, and the molecular formula is C7H11N3, Application of C7H11N3.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics