Category: 452-63-1

Farn, Shiou-Shiow published the artcileAntiinflammation Derived Suzuki-Coupled Fenbufens as COX-2 Inhibitors: Minilibrary Construction and Bioassay, Synthetic Route of 452-63-1, the main research area is antiinflammation Suzuki coupled fenbufen COX inhibitor minilibrary construction bioassay; COVID-19; COX-2 selectivity; biaryl; inflammasome; synergistic.

A small fenbufen library comprising 18 compounds was prepared via Suzuki Miyara coupling. The five-step preparations deliver 9-17% biphenyl compounds in total yield. These fenbufen analogs exert insignificant activity against the IL-1 release as well as inhibiting cyclooxygenase 2 considerably. Both the para-amino and para-hydroxy mono substituents display the most substantial COX-2 inhibition, particularly the latter one showing a comparable activity as celecoxib. The most COX-2 selective and bioactive disubstituted compound encompasses one electron-withdrawing Me and one electron-donating fluoro groups in one arene. COX-2 is selective but not COX-2 to bioactive compounds that contain both two electron-withdrawing groups; disubstituted analogs with both resonance-formable electron-donating dihydroxy groups display high COX-2 activity but inferior COX-2 selectivity. In silico simulation and modeling for three COX-2 active-p-fluoro, p-hydroxy and p-amino-fenbufens show a preferable docking to COX-2 than COX-1. The most stabilization by the p-hydroxy fenbufen with COX-2 predicted by theor. simulation is consistent with its prominent COX-2 inhibition resulting from experiments

Molecules published new progress about Anti-inflammatory agents. 452-63-1 belongs to class bromides-buliding-blocks, name is 1-Bromo-4-fluoro-2-methylbenzene, and the molecular formula is C7H6BrF, Synthetic Route of 452-63-1.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Shao, You-Dong published the artcileOrganocatalytic Atroposelective Friedlander Quinoline Heteroannulation, SDS of cas: 452-63-1, the main research area is arylquinoline preparation organocatalyst atroposelective Friedlaender heteroannulation.

An atroposelective Friedlaender heteroannulation reaction of 2-aminoaryl ketones with α-methylene carbonyl derivatives was developed for the first time with chiral phosphoric acid as an efficient organocatalyst. The desired enantioenriched axially chiral polysubstituted 4-arylquinoline architectures were prepared with good to high yields and enantioselectivities (up to 94% yield and up to 97% ee). Furthermore, the products can be readily derivatized to afford an array of new quinoline-containing heteroatropisomers, which hold great potential in asym. catalysis and drug discovery.

Organic Letters published new progress about Enantioselective synthesis. 452-63-1 belongs to class bromides-buliding-blocks, name is 1-Bromo-4-fluoro-2-methylbenzene, and the molecular formula is C7H6BrF, SDS of cas: 452-63-1.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Provera, Stefano published the artcileApplication of LC-NMR and HR-NMR to the characterization of biphenyl impurities in the synthetic route development for vestipitant, a novel NK1 antagonist, Quality Control of 452-63-1, the main research area is LC NMR biphenyl impurity vestipitant NK1 HPLC.

Vestipitant is a novel NK1 antagonist currently under investigation for the treatment of CNS disorders and emesis. The first synthetic step comprised a Grignard synthesis. An impurity was identified and initially expected to be a sym. biphenyl. This paper reports the work to synthesize the supposed structure and the spectroscopic analyses (LC-NMR and HR-NMR) to correctly identify the real structure and understand the chem. pathway of the impurity.

Journal of Pharmaceutical and Biomedical Analysis published new progress about High-resolution NMR spectroscopy. 452-63-1 belongs to class bromides-buliding-blocks, name is 1-Bromo-4-fluoro-2-methylbenzene, and the molecular formula is C7H6BrF, Quality Control of 452-63-1.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Usui, Yoshihiro published the artcileDiscovery of novel 2-(3-phenylpiperazin-1-yl)-pyrimidin-4-ones as glycogen synthase kinase-3β inhibitors, Quality Control of 452-63-1, the main research area is phenylpiperazinyl pyrimidinone preparation glycogen synthase kinase inhibitor; Alzheimer’s disease; glycogen synthase kinase-3; phenylpiperazine.

The results of further evolution of glycogen synthase kinase (GSK)-3β inhibitors from authors’ promising compounds containing a 2-phenylmorpholine moiety are described. Transformation of the morpholine moiety into a piperazine moiety resulted in potent GSK-3β inhibitors. SAR studies focused on the Ph moiety revealed that a 4-fluoro-2-methoxy group afforded potent inhibitory activity toward GSK-3β. Based on docking studies of (S)-isomer of I, new hydrogen bonding between the nitrogen atom of the piperazine moiety and the oxygen atom of the main chain of Gln185 has been indicated, which may contribute to increased activity compared with that of the corresponding phenylmorpholine analogs. Effect of the stereochem. of the phenylpiperazine moiety is also discussed.

Bioorganic & Medicinal Chemistry Letters published new progress about Alzheimer disease (treatment of). 452-63-1 belongs to class bromides-buliding-blocks, name is 1-Bromo-4-fluoro-2-methylbenzene, and the molecular formula is C7H6BrF, Quality Control of 452-63-1.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Munday, Elizabeth S. published the artcileIsothiourea-Catalyzed Atropselective Acylation of Biaryl Phenols via Sequential Desymmetrization/Kinetic Resolution, Application of 1-Bromo-4-fluoro-2-methylbenzene, the main research area is biaryldiol monoester enantioselective preparation; imidazolobenzothiazole pyrimidobenzothiazole catalyst enantioselective acylation biaryldiol; isothiourea catalyst enantioselective acylation biaryldiol; mechanism tandem acylation kinetic resolution biaryldiol pyrimidobenzothiazole catalyst; transition state structure free energy enantioselective acylation biaryldiol; atropisomers; desymmetrization; isothiourea; kinetic resolution; organocatalysis.

Nonracemic biaryldiol monoesters such as I were prepared by desymmetrization of racemic biaryldiols with isobutyric anhydride and diisopropylethylamine in CH2Cl2 in the presence of nonracemic imidazo- or pyrimidobenzothiazoles. The optimal catalyst depended on the substitution pattern of the biaryldiol. The kinetics of the reaction were determined to understand the enantioselectivity of the acylation; the observed enantioselectivity is a result of an enantioselective desymmetrization coupled to a chiroablative kinetic resolution The free energies and structures of potential transition states were determined using DFT calculations to understand the factors leading to high enantiocontrol; maintenance of substrate planarity to maximize a 1,5-S···O interaction within the key acyl ammonium intermediate is the major determinant of acylation selectivity and thus product enantioselectivity.

Angewandte Chemie, International Edition published new progress about Acylation catalysts (stereoselective). 452-63-1 belongs to class bromides-buliding-blocks, name is 1-Bromo-4-fluoro-2-methylbenzene, and the molecular formula is C7H6BrF, Application of 1-Bromo-4-fluoro-2-methylbenzene.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Shintani, Ryo published the artcileA new entry of nucleophiles in rhodium-catalyzed asymmetric 1,4-addition reactions: addition of organozinc reagents for the synthesis of 2-aryl-4-piperidones, Formula: C7H6BrF, the main research area is pyridinone arylzinc chloride conjugate addition; arylpiperidone asym preparation; rhodium conjugate addition catalyst.

A rhodium-catalyzed asym. 1,4-addition reaction has been applied to the synthesis of 2-aryl-4-piperidones, e.g., I. While other conventional nucleophiles failed, organozinc reagents have been successfully utilized for the construction of these useful compounds in very good yield and enantiomeric excess.

Journal of the American Chemical Society published new progress about Conjugate addition reaction, stereoselective. 452-63-1 belongs to class bromides-buliding-blocks, name is 1-Bromo-4-fluoro-2-methylbenzene, and the molecular formula is C7H6BrF, Formula: C7H6BrF.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Khan, Siraj published the artcileSynthesis, molecular docking, and biological evaluation of 5-alkyl(aryl)-2-isobutylthiazole derivatives as α-amylase, α-glucosidase, and protein kinase inhibitors, Synthetic Route of 452-63-1, the main research area is thiazole preparation amylase glucosidase protein kinase inhibitor antitumor antidiabetic.

A series of 18 biol. active C5-arylated-2-isobutylthiazoles (aryl = Ph, 4-MeCOC6H4, 4-methyl-1-naphthyl, 5-formyl-2-furyl, etc.) was synthesized from 2-isobutylthiazole and the corresponding aryl bromides via C-H bond activation using Pd-NHC complexes [Pd(μ-Cl)Cl(NHC)]2 [NHC = 1,3-bis(2,6-dimethylphenyl)imidazolylidene] and [LCl2Pd-NHC] (L = PPh3, pyridine, 3-formylpyridine). All Pd-NHC complexes were prepared and characterized by 1H NMR, 13C NMR and FTIR spectroscopy, quadrupole-time of flight-liquid chromatog./mass spectroscopy (Q-TOF-LC/MS), gas chromatog.-mass spectrometry (GCMS), and m.p. techniques. The physicochem. properties, pharmacokinetics and drug-likeness of the thiazole products were calculated by SwissADME. PkCSM database was used to calculated the toxicity profile. Almost all the compounds showed no to low toxicity. All the products were addnl. assessed in vitro for their antidiabetic potential using α-amylase and α-glucosidase inhibitory activities. Except for 7 compounds, the prepared thiazoles showed good α-glucosidase inhibitory potential (IC50 7.17 ± 0.201 to 74.08 ± 0.244μg/mL) when compared with acarbose standard (IC50 16.59 ± 0.135μg/mL). All compounds had moderate to good inhibitory potential against the α-amylase enzyme, with IC50 values ranging from 12.00 ± 0.289 to 76.15 ± 0.477μg/mL. The protein kinase inhibition potential was determined for the first time, and 7 compounds showed activity with the zone of inhibition in the range of 9 ± 1.3 to 19 ± 1.5 mm. The ligands and active site binding interactions of α-glucosidase, α-amylase, and protein kinase enzymes were also studied using mol. modeling.

Applied Organometallic Chemistry published new progress about Aryl bromides Role: RCT (Reactant), RACT (Reactant or Reagent). 452-63-1 belongs to class bromides-buliding-blocks, name is 1-Bromo-4-fluoro-2-methylbenzene, and the molecular formula is C7H6BrF, Synthetic Route of 452-63-1.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Xu, Liangxuan published the artcileMomentary click nitrile synthesis enabled by an aminoazanium reagent, Recommanded Product: 1-Bromo-4-fluoro-2-methylbenzene, the main research area is nitrile preparation selective Schmidt reaction aminoazanium reagent.

Momentary and selective Schmidt-type nitrile synthesis was reported. The success of this achievement was ascribed to the employment of the stable and robust aminoazanium reagent H2N-DABCO. A broad range of functionalized aldehydes were efficiently converted to nitriles within 5 min at room temperature in air. The robustness and speed of the protocol allow the CHO group to be regarded as a CN equivalent in organic synthesis. Moreover, the synthetic advantage of this developed protocol is further highlighted via the direct cyanation of a diversity of aldehyde precursors (carboxylic acids, aromatics, aryl halides, alkenes and alkynes) in a cyanide-free process. Addnl., this protocol can not only be used for rapid access to a wide range of ligands and material precursors, but it can also be used in the late-stage modification of complex bioactive mols.

Organic Chemistry Frontiers published new progress about Aldehydes Role: RCT (Reactant), RACT (Reactant or Reagent). 452-63-1 belongs to class bromides-buliding-blocks, name is 1-Bromo-4-fluoro-2-methylbenzene, and the molecular formula is C7H6BrF, Recommanded Product: 1-Bromo-4-fluoro-2-methylbenzene.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Campeau, Louis-Charles published the artcilePalladium-Catalyzed Direct Arylation of Azine and Azole N-Oxides: Reaction Development, Scope and Applications in Synthesis, Recommanded Product: 1-Bromo-4-fluoro-2-methylbenzene, the main research area is azine azole oxide aryl halide palladium catalyst regioselective arylation.

Palladium-catalyzed direct arylation reactions were described with a broad range of azine and azole N-oxides. In addition to aspects of functional group compatibility, issues of regioselectivity were explored when nonsym. azine N-oxides were used. In these cases, both the choice of ligand and the nature of the azine substituents played important roles in determining the regioisomeric distribution. When azole N-oxides were employed, preferential reaction was observed for arylation at C2, which occurred under very mild conditions. Subsequent reactions were observed to occur at C5 followed by arylation at C4. The potential utility of this methodol. was illustrated by its use in the synthesis of a potent sodium channel inhibitor I and a Tie2 Tyrosine Kinase inhibitor II.

Journal of the American Chemical Society published new progress about Aryl halides Role: RCT (Reactant), RACT (Reactant or Reagent). 452-63-1 belongs to class bromides-buliding-blocks, name is 1-Bromo-4-fluoro-2-methylbenzene, and the molecular formula is C7H6BrF, Recommanded Product: 1-Bromo-4-fluoro-2-methylbenzene.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Bugday, Nesrin published the artcileC-H Bond activation of 2-isobutylthiazole at C5 position catalysed by Pd-N-heterocyclic carbene complexes, Application of 1-Bromo-4-fluoro-2-methylbenzene, the main research area is aryl thiazole preparation regioselective; thiazole aryl bromide arylation palladium NHC complex catalyst.

A highly efficient and effective protocol was developed for the synthesis of C5-(hetero)arylated 2-isobutylthiazole derivatives I [Ar = Ph, 4-MeC6H4, 1-naphthyl, etc.]. Four different palladium N-heterocyclic carbene (Pd-NHCs) complexes [Pd(μ-Cl)Cl(SIMes)]2, (LCl2Pd-SIMes) (L = PPh3; L = Py; L = 3-CHO-Py) were synthesized and used for the first time as a catalysts in direct C-H arylation reaction of 2-isobutylthiazole at C5 position. Utilizations of these catalytic systems, the arylation of 2-isobutylthiazole with substituted (hetero)aryl bromides efficiently proceeded at low catalyst loading (1 mol%) and without any additives such as PivOH under argon or aerobic conditions at 120°C in a short time. Different substituted (hetero)aryl bromides, even some deactivated or highly sterically hindered (hetero)arylbromides, with a wide range of functional groups were successfully utilized under the optimum reaction conditions. In all cases, the C5 arylated 2-isobutylthiazoles were obtained in moderate to excellent yields.

Journal of Organometallic Chemistry published new progress about Aryl bromides Role: RCT (Reactant), RACT (Reactant or Reagent). 452-63-1 belongs to class bromides-buliding-blocks, name is 1-Bromo-4-fluoro-2-methylbenzene, and the molecular formula is C7H6BrF, Application of 1-Bromo-4-fluoro-2-methylbenzene.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary