Tag: M.W=150-200

Payard, Pierre-Adrien published the artcileTaming Nickel-Catalyzed Suzuki-Miyaura Coupling: A Mechanistic Focus on Boron-to-Nickel Transmetalation, Application In Synthesis of 452-63-1, the main research area is transmetalation mechanism nickel catalyzed Suzuki Miyaura coupling.

The mechanism of boron-to-nickel transmetalation, the key step of the nickel-catalyzed Suzuki-Miyaura (S-M) coupling, was examined both exptl. and theor. Dinuclear μ-hydroxo-bridged complexes formed by reaction of trans-[ArNi(PR3)2X] with hydroxide are not directly involved in transmetalation, but they rather act as a resting state for the catalyst. The base/boronic acid ratio is the crucial parameter, as it modulates the extent of formation of these dinuclear species and thus tunes the catalytic activity. These findings explain some limitations encountered in practical applications of nickel-catalyzed S-M couplings and suggest how to tailor the exptl. conditions in order to overcome these difficulties.

ACS Catalysis published new progress about Activation enthalpy. 452-63-1 belongs to class bromides-buliding-blocks, name is 1-Bromo-4-fluoro-2-methylbenzene, and the molecular formula is C7H6BrF, Application In Synthesis of 452-63-1.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Singh, I. D. published the artcileElectronic absorption spectra of 3-fluoro-6-bromotoluene and 4-fluoro-3-bromotoluene vapors, Recommanded Product: 1-Bromo-4-fluoro-2-methylbenzene, the main research area is electronic spectra fluorobromotoluene; toluene fluoro bromo electronic spectra.

The vapor absorption bands of 3-fluoro-6-bromotoluene (I) and 4-fluoro-3-bromotoluene (II), belonging to an allowed electronic transition, were photographed for the 1st time. I yields ∼70 sharp red-degraded bands in the 2560-2830-Å region with the (0,0) band at 2752.8 Å. The observed frequencies were 767 and 1008 cm-1 of the ground state and 256, 491, 688, and 1011 cm-1 of the excited state. In II, ∼55 red-degraded bands lying in the 2515-2835-Å region were obtained with the (0,0) band at 2745.5 A. These bands were explained in terms of 741- and 1004- cm-1 ground state and 238-, 448-, 607-, 860-, 1212-, and 1246- cm-1 excited-state fundamentals. These frequencies were assigned to definite modes of vibration and correlated with ir frequencies.

Indian Journal of Pure and Applied Physics published new progress about UV and visible spectra. 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

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

Ottosen, Erik Rytter published the artcileSynthesis and structure-activity relationship of aminobenzophenones. A novel class of p38 MAP kinase inhibitors with high antiinflammatory activity, HPLC of Formula: 452-63-1, the main research area is aminobenzophenone preparation structure activity MAP kinase inhibitor antiinflammatory; skin inflammation aminobenzophenone preparation structure activity MAP kinase inhibitor; dermatitis aminobenzophenone preparation structure activity MAP kinase inhibitor antiinflammatory; human aminobenzophenone preparation structure activity MAP kinase inhibitor antiinflammatory; kinase phosphorylating MAP inhibitor aminobenzophenone preparation structure activity; tumor necrosis factor kinase MAP inhibitor aminobenzophenone preparation; interleukin tumor necrosis factor kinase MAP inhibitor aminobenzophenone preparation; inflammation inhibitor aminobenzophenone preparation structure activity p38 MAP kinase.

The synthesis and structure-activity relationship (SAR) of a series of 4-aminobenzophenones, as a novel compound class with high antiinflammatory activity, was reported. The initial lead, [4-[(2-aminophenyl)amino]phenyl](phenyl)methanone, was systematically optimized and resulted in compounds that potently inhibited the release of the proinflammatory cytokines IL-1β and TNF-α in human peripheral blood mononuclear cells stimulated by LPS. One of the most potent compounds, among others, was [4-[(2-aminophenyl)amino]-2-chlorophenyl](2-methylphenyl)methanone (I) with IC50 values of 14 and 6 nM for the inhibition of IL-1β and TNF-α, resp. Furthermore, these types of compounds were found to be potent and selective p38 MAP kinase inhibitors, e.g. I had an IC50 value of 10 nM. Mol. modeling was used to rationalize our SAR data and to propose a model for the interaction of I with the p38 MAP kinase. The model involved a favorable hydrogen bond between the carbonyl group of the benzophenone and the NH of Met-109, positioning ring A in the hydrophobic pocket I of the enzyme. Good antiinflammatory effects were demonstrated in two murine models of dermatitis after topical application (oxazolone and TPA model).

Journal of Medicinal Chemistry 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, HPLC of Formula: 452-63-1.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Lortscher, Emanuel published the artcileCharge transport through molecular rods with reduced π-conjugation, Application In Synthesis of 452-63-1, the main research area is reduced pi conjugation oligophenylene mol rod charge transport.

A series of oligophenylene rods of increasing lengths is synthesized to investigate the charge-transport mechanisms. Me groups are attached to the Ph rings to weaken the electronic overlap of the π-subsystems along the mol. backbones. Out-of-plane rotation of the Ph rings is confirmed in the solid state by means of X-ray anal. and in solution by using UV/Vis spectroscopy. The influence of the reduced π-conjugation on the resonant charge transport is studied at the single-mol. level by using the mech. controllable break-junction technique. Experiments are performed under ultra-high-vacuum conditions at low temperature (50 K). A linear increase of the conductance gap with increasing number of Ph rings (from 260 meV for one ring to 580 meV for four rings) is revealed. In addition, the absolute conductance of the first resonant peaks does not depend on the length of the mol. wire. Resonant transport through the first MO is found to be dominated by charge-carrier injection into the mol., rather than by the intrinsic resistance of the mol. wire length.

ChemPhysChem published new progress about Conjugation (bond), π-. 452-63-1 belongs to class bromides-buliding-blocks, name is 1-Bromo-4-fluoro-2-methylbenzene, and the molecular formula is C7H6BrF, Application In Synthesis 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

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

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

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

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