Category: 13808-65-6

Lesniak, Robert K.; Nichols, R. Jeremy; Schonemann, Marcus; Zhao, Jing; Gajera, Chandresh R.; Lam, Grace; Nguyen, Khanh C.; Langston, J. William; Smith, Mark; Montine, Thomas J. published the artcile< Discovery of 1H-Pyrazole Biaryl Sulfonamides as Novel G2019S-LRRK2 Kinase Inhibitors>, Electric Literature of 13808-65-6, the main research area is pyrazole biaryl sulfonamides preparation G2019S LRRK2 kinase inhibitor.

G2019S (GS) is the most prevalent mutation in the leucine rich repeat protein kinase 2 gene (LRRK2), a genetic predisposition that is common for Parkinson’s disease, as well as for some forms of cancer, and is a shared risk allele for Crohn’s disease. GS-LRRK2 has a hyperactive kinase, and although numerous drug discovery programs have targeted LRRK2 kinase, few have reached clin. development. We report the discovery and preliminary development of an entirely novel structural class of potent and selective GS-LRRK2 kinase inhibitors: biaryl-1H-pyrazoles.

ACS Medicinal Chemistry Letters published new progress about Crohn disease. 13808-65-6 belongs to class pyrazoles-derivatives, and the molecular formula is C9H7BrN2, Electric Literature of 13808-65-6.

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

Chang, Kuei-Choo; Grimmett, M. Ross; Ward, David D.; Weavers, Rex T. published the artcile< The nitration of brominated pyrazoles in aqueous sulfuric acid>, HPLC of Formula: 13808-65-6, the main research area is bromopyrazole nitration substituent; pyrazole bromo nitration substituent.

Nitration in 80% H2SO4 of 4-bromopyrazoles gives rise to considerable nitrodebromination. Compounds with no alkyl or aryl substituent on N give only the 4-nitro products, except 4-bromo-3-phenylpyrazole which gives the p-nitrophenyl compound N-Alkyl-4-bromopyrazoles give products of nitrodebromination as well as those arising from nitration in the 3- and/or 5-positions. N-Aryl-4-bromopyrazoles can also undergo nitration of the aryl substituent.

Australian Journal of Chemistry published new progress about Nitration. 13808-65-6 belongs to class pyrazoles-derivatives, and the molecular formula is C9H7BrN2, HPLC of Formula: 13808-65-6.

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

Hilpert, Lukas J.; Sieger, Simon V.; Haydl, Alexander M.; Breit, Bernhard published the artcile< Palladium- and Rhodium-Catalyzed Dynamic Kinetic Resolution of Racemic Internal Allenes Towards Chiral Pyrazoles>, Synthetic Route of 13808-65-6, the main research area is pyrazole allene palladium rhodium catalyst chemoselective regioselective enantioselective hydroamination; alkenylpyrazole preparation; asymmetric catalysis; dynamic kinetic resolution; internal allenes; palladium; rhodium.

A complementing Pd- and Rh-catalyzed dynamic kinetic resolution (DKR) of racemic allenes leading to N-allylated pyrazoles was described. Such compounds are of enormous interest in medicinal chem. as certified drugs and potential drug candidates. The new methods feature high chemo-, regio- and enantioselectivities aside from displaying a broad substrate scope and functional group compatibility. A mechanistic rational accounting for allene racemization and trans-alkene selectivity was discussed.

Angewandte Chemie, International Edition published new progress about Aldehydes Role: RCT (Reactant), RACT (Reactant or Reagent). 13808-65-6 belongs to class pyrazoles-derivatives, and the molecular formula is C9H7BrN2, Synthetic Route of 13808-65-6.

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

de Paz, Jose Luis G.; Elguero, Jose; Foces-Foces, Concepcion; Llamas-Saiz, Antonio L.; Aguilar-Parrilla, Francisco; Klein, Olivier; Limbach, Hans-Heinrich published the artcile< Theoretical study of the structure and tautomerism of N1-unsubstituted pyrazoles in the solid state>, Application In Synthesis of 13808-65-6, the main research area is pyrazole oligomer structure tautomerism MO.

Ab initio theor. calculations were performed on the pyrazole cyclic dimer, trimer and tetramers as well as on linear oligomers, assuming that there is no relaxation of the geometry during the proton transfer. The ground state and a wide variety of transition states, corresponding to different pathways for intermol. proton transfer, were explored, and the results compared with exptl. data from crystallog. and solid-state NMR spectroscopy. For the simplest case of the dimer, the reaction path corresponding to a double proton transfer was explored as well as the effect of relaxing the geometry.

Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry published new progress about Hartree-Fock method. 13808-65-6 belongs to class pyrazoles-derivatives, and the molecular formula is C9H7BrN2, Application In Synthesis of 13808-65-6.

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

Zhang, Jin; Peng, Ju-Fang; Wang, Tao; Kang, Yang; Jing, Sisi; Zhang, Zun-Ting published the artcile< Synthesis and biological evaluation of arylpyrazoles as fungicides against phytopathogenic fungi>, Related Products of 13808-65-6, the main research area is arylpyrazole synthesis fungicide phytopathogenic fungus; Antifungal; Arylpyrazoles; Phytopathogens fungi; Structure-activity relationship.

Abstract: 3-phenol-1H-pyrazoles (2), 4-halogeno-3-phenol-1H-pyrazoles (3) and 2-(1-phenol-1H-pyrazol-5-yl)phenols (4) were prepared by the condensation of (E)-3-(dimethylamino)-1-phenylprop-2-en-1-ones and hydrazine hydrate or phenylhydrazine in good yields. They were evaluated against five phytopathogens fungi, namely Cytospora sp., Colletotrichum gloeosporioides, Botrytis cinerea, Alternaria solani and Fusarium solani in vitro. Most of the above-mentioned compounds exhibited activities. For example, 4-chloro-2-(1H-pyrazol-3-yl)phenol (3k) and 4-bromo-3-phenol-1H-pyrazole (3b) showed good and broad-spectrum antifungal properties against Cytospora sp., C. gloeosporioides, Botrytis cinerea, Alternaria solani and F. Solani with IC50 values ranging from 4.66 to 12.47 μg/mL. The results showed that pyrazoles with one aryl group at 3-position (2 and 3) exhibited better antibacterial activity than those with two aryl substituents (4). In addition, the existence of an electron-withdrawing group, a substituent on the ortho-position of phenol ring or a halogen atom at the 4-position of the pyrazole enhanced the antifungal activity of pyrazoles 2 and 3. Graphical Abstract: A series of arylpyrazole derivatives was facilely prepared and was evaluated against five phytopathogens fungi including Cytospora sp., Colletotrichum gloeosporioides, Botrytis cinerea, Alternaria solani, and Fusarium solani in vitro. Most of those compounds exhibited remarkable antifungal activities and were superior to the pos. control hymexazol. [Figure not available: see fulltext.].

Molecular Diversity published new progress about Alternaria solani. 13808-65-6 belongs to class pyrazoles-derivatives, and the molecular formula is C9H7BrN2, Related Products of 13808-65-6.

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

Kumar, Rahul; Turcaud, Serge; Micouin, Laurent published the artcile< The Reaction of Dimethylalkynylaluminum Reagents with Trimethylsilyldiazomethane: Original Reactivity Leading to New α-Silylated Alkynyl Hydrazones>, Electric Literature of 13808-65-6, the main research area is methylalkynylaluminum reaction silyldiazomethane preparation silylated alkynyl hydrazone.

Trimethylsilyldiazomethane does not react as a homologating reagent but as a C-electrophilic species with dimethylalkynylaluminum reagents. This unprecedented reactivity enables a simple access to unusual α-silylated alkynyl hydrazones.

Organic Letters published new progress about Alkynes Role: RCT (Reactant), RACT (Reactant or Reagent) (aluminated). 13808-65-6 belongs to class pyrazoles-derivatives, and the molecular formula is C9H7BrN2, Electric Literature of 13808-65-6.

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

Haydl, Alexander M.; Xu, Kun; Breit, Bernhard published the artcile< Regio- and Enantioselective Synthesis of N-Substituted Pyrazoles by Rhodium-Catalyzed Asymmetric Addition to Allenes>, Application In Synthesis of 13808-65-6, the main research area is pyrazole terminal alkene addition rhodium catalyst; allylated pyrazole asym preparation; allenes; allylic compounds; asymmetric catalysis; heterocycles; rhodium.

The rhodium-catalyzed asym. N-selective coupling of pyrazole derivatives with terminal allenes gives access to enantioenriched secondary and tertiary allylic pyrazoles, i.e. I, which can be employed for the synthesis of medicinally important targets. The reaction tolerates a large variety of functional groups and labeling experiments gave insights into the reaction mechanism. This new methodol. was further applied in a highly efficient synthesis of JAK 1/2 inhibitor (R)-ruxolitinib.

Angewandte Chemie, International Edition published new progress about Addition reaction catalysts, stereoselective. 13808-65-6 belongs to class pyrazoles-derivatives, and the molecular formula is C9H7BrN2, Application In Synthesis of 13808-65-6.

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

Marin-Luna, Marta; Claramunt, Rosa M.; Nieto, Carla I.; Alkorta, Ibon; Elguero, Jose; Reviriego, Felipe published the artcile< Theoretical NMR study of polymorphism in crystal structures of azoles and benzazoles>, Recommanded Product: 4-Bromo-3-phenyl-1H-pyrazole, the main research area is solid state NMR polymorphism crystal structure azoles benzazoles; GIPAW; NMR; azoles; benzazoles; polymorphism; solid state; tautomerism.

The NMR chem. shifts of two azoles and one benzazole whose crystal structures present polymorphism have been computed using the GIPAW approach. 15N and 13C nuclei have been studied. Statistical anal. of the computed 13C and 15N chem. shifts indicates that the GIPAW chem. shifts reproduce with a high degree of accuracy those exptl. reported. This methodol. can be used to identify other polymorphic crystal structures.

Magnetic Resonance in Chemistry published new progress about Bond angle, torsional. 13808-65-6 belongs to class pyrazoles-derivatives, and the molecular formula is C9H7BrN2, Recommanded Product: 4-Bromo-3-phenyl-1H-pyrazole.

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

Cabildo, Pilar; Claramunt, Rosa Maria published the artcile< Carbon-13 NMR chemical shifts of N-unsubstituted and N-methylpyrazole derivatives>, Recommanded Product: 4-Bromo-3-phenyl-1H-pyrazole, the main research area is NMR pyrazole derivative; methylpyrazole derivative NMR.

13C shielding data for 100 derivatives of pyrazole are reported. These include Me, Et, Pr, tert-Bu, Ph, hydroxymethyl, carboxyl, ethoxycarbonyl, cyano, amino, hydrazino, nitro, azido, chloro, bromo and iodo groups as substituents on the ring carbon atoms.

Organic Magnetic Resonance published new progress about NMR (nuclear magnetic resonance). 13808-65-6 belongs to class pyrazoles-derivatives, and the molecular formula is C9H7BrN2, Recommanded Product: 4-Bromo-3-phenyl-1H-pyrazole.

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

Khan, M. A.; Mustafa, A. published the artcile< Ipso substitution in heterocyclic compounds. Bromination of pyrazole-4-carboxaldehydes>, Recommanded Product: 4-Bromo-3-phenyl-1H-pyrazole, the main research area is pyrazolecarboxaldehyde bromination.

Bromination of pyrazolecarboxaldehydes I (R1 = H, Me; R2 = H, NO2) with Br in AcOH at room temperature for 30 min gave 46-66% bromopyrazolecarboxaldehydes II.

Pharmazie published new progress about Bromination. 13808-65-6 belongs to class pyrazoles-derivatives, and the molecular formula is C9H7BrN2, Recommanded Product: 4-Bromo-3-phenyl-1H-pyrazole.

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