November 2022 - Page 45 of 288 - Bromides-buliding-blocks

Yasu, Yusuke’s team published research in Chemical Communications (Cambridge, United Kingdom) in 48 | CAS: 594-81-0

Chemical Communications (Cambridge, United Kingdom) published new progress about 594-81-0. 594-81-0 belongs to bromides-buliding-blocks, auxiliary class Bromide,Aliphatic hydrocarbon chain, name is 2,3-Dibromo-2,3-dimethylbutane, and the molecular formula is C65H82N2O18S2, Synthetic Route of 594-81-0.

Yasu, Yusuke published the artcileSunlight-driven synthesis of γ-diketones via oxidative coupling of enamines with silyl enol ethers catalyzed by [Ru(bpy)₃]²⁺, Synthetic Route of 594-81-0, the publication is Chemical Communications (Cambridge, United Kingdom) (2012), 48(43), 5355-5357, database is CAplus and MEDLINE.

A photosensitizer [Ru(bpy)₃]²⁺ catalyzes oxidative coupling reaction of enamines with silyl enol ethers under visible light irradiation by a Xe lamp or sunlight to produce γ-diketones. A 2e-oxidation process involved in this reaction is achieved by a combination of the photoexcited [Ru(bpy)₃]²⁺ species and duroquinone, a 2e-acceptor.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Lorion, Melanie M.’s team published research in Chemistry – A European Journal in 26 | CAS: 401-55-8

Chemistry – A European Journal published new progress about 401-55-8. 401-55-8 belongs to bromides-buliding-blocks, auxiliary class Fluoride,Bromide,Aliphatic hydrocarbon chain,Ester, name is Ethylbromofluoroacetate, and the molecular formula is C4H6BrFO2, Recommanded Product: Ethylbromofluoroacetate.

Lorion, Melanie M. published the artcileCobalt-Catalyzed α-Arylation of Substituted α-Bromo α-Fluoro β-Lactams with Diaryl Zinc Reagents: Generalization to Functionalized Bromo Derivatives, Recommanded Product: Ethylbromofluoroacetate, the publication is Chemistry – A European Journal (2020), 26(58), 13163-13169, database is CAplus and MEDLINE.

A cobalt-catalyzed cross-coupling of α-bromo α-fluoro β-lactams with diarylzinc or diallylzinc reagents is herein disclosed. The protocol proved to be general, chemoselective and operationally simple allowing the C4 functionalization of β-lactams. The substrate scope was expanded to α-bromo lactams and amides, α-bromo lactones and esters as well as N- and O-containing heterocycles.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Laufer, Stefan’s team published research in Organic & Biomolecular Chemistry in 6 | CAS: 66197-72-6

Organic & Biomolecular Chemistry published new progress about 66197-72-6. 66197-72-6 belongs to bromides-buliding-blocks, auxiliary class Aliphatic Chain, name is Diethyl (bromomethyl)phosphonate, and the molecular formula is C5H12BrO3P, Computed Properties of 66197-72-6.

Laufer, Stefan published the artcileTowards the improvement of the synthesis of novel 4(5)-aryl-5(4)-heteroaryl-2-thio-substituted imidazoles and their p38 MAP kinase inhibitory activity, Computed Properties of 66197-72-6, the publication is Organic & Biomolecular Chemistry (2008), 6(3), 437-439, database is CAplus and MEDLINE.

A series of 2-alkylsulfanyl-4-(4-fluorophenyl)-5-(2-aminopyridin-4-yl)-substituted imidazoles was prepared and interaction possibilities of the 2-thioether moiety with phosphate/ribose-binding pockets of p38 MAP kinase were investigated. Introduction of the alkyl/benzyl amino function at the pyridine moiety was carried out via nucleophilic substitution or via palladium-catalyzed aryl-C-N bond formation.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Tripathi, Ayushi’s team published research in Macromolecules (Washington, DC, United States) in 53 | CAS: 111865-47-5

Macromolecules (Washington, DC, United States) published new progress about 111865-47-5. 111865-47-5 belongs to bromides-buliding-blocks, auxiliary class Benzenes, name is Mono(N,N,N-trimethyl-1-phenylmethanaminium) tribromide, and the molecular formula is C16H14O6, SDS of cas: 111865-47-5.

Tripathi, Ayushi published the artcileOptimization of Thermoelectric Properties of Polymers by Incorporating Oligoethylene Glycol Side Chains and Sequential Solution Doping with Preannealing Treatment, SDS of cas: 111865-47-5, the publication is Macromolecules (Washington, DC, United States) (2020), 53(16), 7063-7072, database is CAplus.

Two types of p-type thermoelec. (TE) polymers with alkyl (PCPDTSBT) and oligoethylene glycol (OEG) side chains (PCPDTSBT-A) on an sp²-hybridized olefinic bis(alkylsulfanyl)methylene-substituted cyclopentadithiophene backbone are synthesized. Interestingly, the OEG-substituted polymer, PCPDTSBT-A, exhibits significant self-doping compared to PCPDTSBT, where the polaron d. of the former is 2.3 × 10¹⁶ mm^-3 (vs. 7.9 × 10¹⁴ mm^-3 for PCPDTSBT) without external doping. Changing the side chains also induces a completely different polymer chain orientation in the PCPDTSBT-A (face-on) and PCPDTSBT (edge-on) films. The effect of doping with 2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane (F₄TCNQ) on the morphol. and TE properties of the polymers with different side chains is studied. Sequential solution doping (SQD) is performed by overcoating the preannealed polymer films with F₄TCNQ solution, which affords highly effective doping without disrupting the morphol. of the crystalline films, especially for PCPDTSBT-A with OEG side chains. Resulting from the synergistic effect of the OEG side chains and SQD, PCPDTSBT-A exhibits remarkably improved elec. conductivity (53.8 S cm^-1) with a higher power factor (40.4μW m^-1 K^-2), compared to PCPDTSBT, for which the maximum elec. conductivity is 1.4 S cm^-1 and the power factor is 1.8μW m^-1 K^-2. In addition, the transport coefficient of PCPDTSBT-A, determined by applying the Kang-Snyder model (2.40 × 10^-2 S cm^-1), is superior to that of PCPDTSBT (3.59 × 10^-3 S cm^-1), thereby showing the excellence of the developed strategy for improving the performance of TE polymers.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Yu, Songjie et al. published their research in Journal of the American Chemical Society in 2015 | CAS: 80480-15-5

2-Bromo-1-(pyren-1-yl)ethanone (cas: 80480-15-5) belongs to organobromine compounds. Bromo compounds are employed in a variety of metal-catalyzed coupling reactions. They are also ideal candidates for the synthesis of Grignard reagents that have wide-applicability in organic synthesis. alpha-Bromoesters are employed in the Reformatsky reaction for the synthesis of beta-hydroxyesters. In the pharmaceutical industry organo bromine derivatives are used as sedatives, vasodilators, antiseptic agents, and anticancer agents.SDS of cas: 80480-15-5

Rhodium-Catalyzed C-H Activation of Phenacyl Ammonium Salts Assisted by an Oxidizing C-N Bond: A Combination of Experimental and Theoretical Studies was written by Yu, Songjie;Liu, Song;Lan, Yu;Wan, Boshun;Li, Xingwei. And the article was included in Journal of the American Chemical Society in 2015.SDS of cas: 80480-15-5 The following contents are mentioned in the article:

Rh(III)-catalyzed C-H activation assisted by an oxidizing directing group has evolved to a mild and redox-economic strategy for the construction of heterocycles. Despite the success, these coupling systems are currently limited to cleavage of an oxidizing N-O or N-N bond. Cleavage of an oxidizing C-N bond, which allows for complementary carbocycle synthesis, is unprecedented. α-Ammonium acetophenones with an oxidizing C-N bond were designed as substrates for Rh(III)-catalyzed C-H activation under redox-neutral conditions. The coupling with α-diazo esters afforded benzocyclopentanones, and the coupling with unactivated alkenes such as styrenes and aliphatic olefins gave ortho-olefinated acetophenoes. In both systems the reactions proceeded with a broad scope, high efficiency, and functional group tolerance. Also, efficient 1-pot coupling of diazo esters was realized starting from α-bromoacetophenones and triethylamine. The reaction mechanism for the coupling with diazo esters was studied by a combination of exptl. and theor. methods. In particular, three distinct mechanistic pathways were scrutinized by DFT studies, which revealed that the C-H activation occurs via a C-bound enolate-assisted concerted metalation-deprotonation mechanism and is rate-limiting. In subsequent C-C formation steps, the lowest energy pathway involves two rhodium carbene species as key intermediates. This study involved multiple reactions and reactants, such as 2-Bromo-1-(pyren-1-yl)ethanone (cas: 80480-15-5SDS of cas: 80480-15-5).

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Li, Yi-Shan et al. published their research in Scientific Reports in 2019 | CAS: 80480-15-5

2-Bromo-1-(pyren-1-yl)ethanone (cas: 80480-15-5) belongs to organobromine compounds. Many of the organo bromine compounds are relatively nonpolar. Bromine is more electronegative than carbon (2.8 vs 2.5) and hence the carbon in a carbonbromine bond is electrophilic in nature. The principal reactions for organobromides include dehydrobromination, Grignard reactions, reductive coupling, and nucleophilic substitution.Formula: C18H11BrO

Direct in situ labeling of target drugs with a fluorophore probe to improve MALDI-MS detection sensitivity in micro-liter plasma was written by Li, Yi-Shan;Lu, Chi-Yu. And the article was included in Scientific Reports in 2019.Formula: C18H11BrO The following contents are mentioned in the article:

Nonsteroidal anti-inflammatory drugs (NSAIDs) are widely used for symptomatic relief from fever, inflammation, and chronic pain associated with a variety of human disorders. Long-term usage of these drugs can result in severe syndromes; hence, their dose should be controlled carefully and their side effects such as Stevens-Johnson syndrome, toxic epidermal necrolysis, phototoxicity, acute interstitial nephritis, gastrointestinal bleeding, cardiovascular diseases, and liver injury should be considered. Furthermore, the widely used combination of NSAIDs as over-the-counter (OTC) drugs with other drugs leads to adverse drug-drug interactions. Therefore, development of a throughput method to rapidly screen 20 NSAIDs in biol. samples is necessary to safeguard human health. In this work, we selected a suitable fluorophore probe coupled with in situ micro-labeling (<2 min) on stainless plate for the fast detection of NSAIDs in plasma samples at the micro-liter level (5μL) without complicated sample preparation and separation Every step undertaken in the protocol was also at the micro-liter level; thus, a small amount of blood collected from the human finger will suffice to determine the drug concentration in blood using the proposed method. Furthermore, the proposed method we developed was also matched the modern trends of green anal. chem. towards miniaturization of anal. methodologies. This study involved multiple reactions and reactants, such as 2-Bromo-1-(pyren-1-yl)ethanone (cas: 80480-15-5Formula: C18H11BrO).

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Kofron, William G.’s team published research in Journal of the American Chemical Society in 90 | CAS: 594-81-0

Journal of the American Chemical Society published new progress about 594-81-0. 594-81-0 belongs to bromides-buliding-blocks, auxiliary class Bromide,Aliphatic hydrocarbon chain, name is 2,3-Dibromo-2,3-dimethylbutane, and the molecular formula is C6H12Br2, Name: 2,3-Dibromo-2,3-dimethylbutane.

Kofron, William G. published the artcileDisplacement on halogen vs. carbon and on halogen vs. hydrogen of certain polyhalides by diphenylmethide ion in liquid ammonia, Name: 2,3-Dibromo-2,3-dimethylbutane, the publication is Journal of the American Chemical Society (1968), 90(15), 4126-9, database is CAplus.

Na and K diphenylmethide (I), prepared from diphenylmethane (II) and the corresponding alkali amide in liquid NH3 underwent displacement on halogen with ethylene bromide and iodide to form the dimer, 1,1,2,2-tetraphenylethane (III), and presumably ethylene; in contrast, I underwent displacement on C (SN2) with ethylene chloride to give the twofold alkylation product. Similarly, potassio salt I underwent displacement on halogen with 2,3-dibromo-2,3-dimethylbutane, 1,1,2,2-tetrabromoethane, and hexachloroethane to form dimer III and an olefinic product. The olefinic products from the tetrabromo- and hexachloroethanes were dibromoethylene and tetrachloroethylene, resp., potassio salt I also underwent displacement on halogen with these olefinic halides to afford apparently acetylene. Potassio salt I underwent diplacement on H with 1,1-dichloroethane to regenerate II, and displacement on halogen with 1,1,1-trichloroethane and benzotrichloride to form a mixture of II and III; in these cases the halide was converted to an alddimine. Potassio salt I underwent displacement on halogen with N-bromosuccinimide to give dimer III and succinimide.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Ponce, Yovani Marrero’s team published research in QSAR & Combinatorial Science in 26 | CAS: 518-67-2

QSAR & Combinatorial Science published new progress about 518-67-2. 518-67-2 belongs to bromides-buliding-blocks, auxiliary class Other Aromatic Heterocyclic,Salt,Amine,Benzene, name is Dimidium bromide, and the molecular formula is C20H18BrN3, Quality Control of 518-67-2.

Ponce, Yovani Marrero published the artcileAtom-based 2D quadratic indices in drug discovery of novel tyrosinase inhibitors: results of In Silico studies supported by experimental results, Quality Control of 518-67-2, the publication is QSAR & Combinatorial Science (2007), 26(4), 469-487, database is CAplus.

Herein we present results of QSAR studies of tyrosinase inhibitors employing one of the atom-based TOMOCOMD-CARDD (acronym of TOpol. Mol. COMputer Design-Computer Aided “Rational” Drug Design) descriptors, mol. quadratic indexes, and Linear Discriminant Anal. (LDA) as pattern recognition method. In this way, a database of 246 organic chems., reported as tyrosinase inhibitors having great structural variability, was analyzed and presented as a helpful tool, not only for theor. chemists but also for other researchers in this area. In total, 12 LDA-based QSAR models were obtained, the first six with the non-stochastic total and local quadratic indexes and the six remaining models with the stochastic mol. descriptors. The best two models for the non-stochastic and stochastic mol. descriptors, showed an appropriate overall accuracy (92.68 and 89.10%, resp.) and a high Matthews correlation coefficient (C of 0.85 and of 0.84, correspondingly) when applied to the training set. External validation series were also used to validate the obtained models; the 91.67% (C = 0.82) and 90.00% (C = 0.78), were correctly classified, resp. To show the possibilities of the present approach for the ligand-based virtual screening of tyrosinase inhibitors, the developed models were used afterwards in a simulation of a virtual search for tyrosinase inhibitors. For instance, more than 93% (93.33%) and 96% (96.66%) of the screened chems. were correctly classified by the two best LDA-based QSAR models developed with non-stochastic and stochastic quadratic indexes, resp. Finally, the combination of the obtained models permitted the selection/identification of new diterpenoidal alkaloid leads as tyrosinase inhibitors. The found activity is supported by observed inhibitory effects on mushroom tyrosinase enzyme, even comparable with some reference tyrosinase inhibitors. These results support a role for TOMOCOMD-CARDD descriptors in the biosilico discovery of novel tyrosinase inhibitors from large databases of chem. structures (virtual or “in silico”), which may be used to prevent or treat pigmentation disorders.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Boebel, Timothy A.’s team published research in Tetrahedron in 64 | CAS: 401797-04-4

Tetrahedron published new progress about 401797-04-4. 401797-04-4 belongs to bromides-buliding-blocks, auxiliary class Bromide,Boronic acid and ester,Benzene,Ether,Boronate Esters,Boronic acid and ester, name is 2-(3-Bromo-5-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, and the molecular formula is C13H18BBrO3, Formula: C13H18BBrO3.

Boebel, Timothy A. published the artcileConversion of 1,3-disubstituted arenes to chiral α,α-diaryl methylammonium chlorides using arene borylation, Formula: C13H18BBrO3, the publication is Tetrahedron (2008), 64(29), 6824-6830, database is CAplus.

A two-step conversion of 1,3-disubstituted arenes to chiral α,α-diaryl methylammonium chlorides is described. In this procedure, arenes are converted to aryl boronic esters by iridium-catalyzed borylation, and the aryl boronic esters are converted to enantioenriched amines by subsequent rhodium-catalyzed addition to chiral tert-butanesulfinamides.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Boebel, Timothy A.’s team published research in Organometallics in 27 | CAS: 1075719-78-6

Organometallics published new progress about 1075719-78-6. 1075719-78-6 belongs to bromides-buliding-blocks, auxiliary class Bromide,Boronic acid and ester,Benzene,Boronate Esters,Boronic Acids,Boronic acid and ester, name is 2-(3,4-Dibromophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, and the molecular formula is C12H15BBr2O2, Quality Control of 1075719-78-6.

Boebel, Timothy A. published the artcileIridium-Catalyzed Preparation of Silylboranes by Silane Borylation and Their Use in the Catalytic Borylation of Arenes, Quality Control of 1075719-78-6, the publication is Organometallics (2008), 27(22), 6013-6019, database is CAplus.

Silylboranes are versatile reagents for transition metal-catalyzed reactions of unsaturated organic mols. These reagents are typically prepared by the addition of a silyl lithium species to a boron electrophile. However, the need to generate anionic silane reagents limits the scope of silylboranes that can be readily obtained. Here, the synthesis of trialkylsilylboranes by borylation of silanes catalyzed by iridium complexes is described. The reaction of trialkylhydrosilanes with B₂pin₂ catalyzed by the combination of [Ir(OMe)cod]₂ and 4,4′-di-tert-butylbipyridine forms trialkylsilylboronic esters. In addition, these trialkylsilylboranes serve as boron sources for iridium-catalyzed borylation of aryl C-H bonds. In contrast to diboron reagents, the silylboranes react with methylarenes at both the aryl and Me C-H bonds.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary