Author: Jessica.F

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.

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.

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

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.

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.

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

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.

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.

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

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.

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.

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

Arlow, Sophie I. published the artcileSynthesis, Characterization, and Reactivity of Palladium Fluoroenolate Complexes, Recommanded Product: Ethylbromofluoroacetate, the publication is Journal of the American Chemical Society (2017), 139(45), 16088-16091, database is CAplus and MEDLINE.

Cross-coupling reactions of aryl groups with α-fluoro carbonyl compounds catalyzed by Pd complexes are reported, but Pd fluoroenolate intermediates relevant to such reactions were not isolated or even detected previously. The authors report the synthesis, structural characterization, and reactivity of C-bound arylpalladium fluoroenolate complexes ligated by monophosphines and bisphosphines. DPPF-ligated arylpalladium fluoroenolate complexes (DPPF = 1,1-bis(diphenylphosphino)ferrocene) derived from a monofluoroester, a difluoroester, difluoroamides, and difluoroacetonitrile underwent reductive elimination in high yields. Reductive elimination was faster from complexes containing less electron-withdrawing fluoroenolate groups and longer Pd-C(enolate) bonds than from complexes containing more electron-withdrawing fluoroenolate groups and shorter Pd-C(enolate) bonds. The rates of reductive elimination from these C-bound fluoroenolate complexes were significantly faster than those of the analogous trifluoromethyl complexes.

Journal of the American Chemical Society 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.

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

Ward, Simon E. published the artcileIntegration of Lead Optimization with Crystallography for a Membrane-Bound Ion Channel Target: Discovery of a New Class of AMPA Receptor Positive Allosteric Modulators, Synthetic Route of 76283-09-5, the publication is Journal of Medicinal Chemistry (2011), 54(1), 78-94, database is CAplus and MEDLINE.

A novel series of AMPAR pos. modulators is described that were identified by high throughput screening. The mols. of the series have been optimized from a high quality starting point hit to afford excellent developability, tolerability, and efficacy profiles, leading to identification of a clin. candidate. Unusually for an ion channel target, this optimization was integrated with regular generation of ligand-bound crystal structures and uncovered a novel chemotype with a unique and highly conserved mode of interaction via a trifluoromethyl group.

Journal of Medicinal Chemistry published new progress about 76283-09-5. 76283-09-5 belongs to bromides-buliding-blocks, auxiliary class Fluoride,Bromide,Benzyl bromide,Benzene, name is 4-Bromo-1-(bromomethyl)-2-fluorobenzene, and the molecular formula is C14H10O4S2, Synthetic Route of 76283-09-5.

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

Zhang, Qiang published the artcileDesign and synthesis of benzyl aminocoumarin and its anti-Alzheimer′s activity, Formula: C7H5Br2F, the publication is New Journal of Chemistry (2021), 45(37), 17287-17300, database is CAplus.

Benzylaminocoumarin is a kind of compound with coumarin skeleton and benzylamino side chain structure at positions 3 and 4. Our group has previously explored the AD activity of 3-(4-aminophenyl) coumarin and obtained benzylaminocoumarin by further structural modification of benzamide side chains. A total of 29 benzylaminocoumarins were synthesized, and the compounds were tested for anti-AD-related activities, and compounds M3, M11, M21 and M26 were found to show good AChE inhibitory activity by in vitro activity experiments, with compound M11 (IC50 = 0.068 ± 0.04) showing better AChE inhibitory activity than the pos. drug donepezil (IC50 = 0.079 ± 0.008). The compound showed good MAO inhibitory activity against M3 and M11, of which compound M11 (IC50 = 6.312 ± 0.03) showed the best MAO-B inhibitory activity, but was weaker than the pos. drug donepezil (IC50 = 1.697 ± 0.01). The exptl. results showed that compounds M21 and M26 could selectively inhibit the AChE activity, and their probability of producing toxic side effects was low. Compound M11 shows dual AChE and MAO inhibitory activity and can be used as a potential therapeutic agent for the treatment of AD. In anti-AD multitarget drug research, multitarget inhibitors have low limitations and are able to produce better therapeutic effects on the entire disease system.

New Journal of Chemistry published new progress about 76283-09-5. 76283-09-5 belongs to bromides-buliding-blocks, auxiliary class Fluoride,Bromide,Benzyl bromide,Benzene, name is 4-Bromo-1-(bromomethyl)-2-fluorobenzene, and the molecular formula is C9H22OSi, Formula: C7H5Br2F.

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

Nishida, Akiko published the artcileHalogenation using quaternary ammonium polyhalides. XXVIII. Effect of substituents on brominating ability of quaternary ammonium tribromides, Recommanded Product: Mono(N,N,N-trimethyl-1-phenylmethanaminium) tribromide, the publication is Technology Reports of the Yamaguchi University (1990), 4(4), 303-8, database is CAplus.

Trimethylammonium tribromides RC₆H₄R¹ (I) [R = 4-Me, 4-NO₂, R¹ = (CH₂NMe₃)⁺Br₃^–, (NMe₃)⁺Br₃^–] were prepared and served as brominating reagents for 2-methoxyphenol (II). Thus, I [R = 4-Me, R¹ = (CH₂NMe₃)⁺Br₃^–] (III) was prepared by condensing 4-MeC₆H₄CH₂Br with NMe₃ followed by treatment with NaBrO₃/HBr. III brominated II to give 4,6-dibromo-2-methoxyphenol. The brominating ability of these compounds was compared to the corresponding phenylanalogs I [R = H, R¹ = (CH₂NMe₃)⁺Br₃^–, (NMe₃)⁺Br₃^–].

Technology Reports of the Yamaguchi University 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 C10H16Br3N, Recommanded Product: Mono(N,N,N-trimethyl-1-phenylmethanaminium) tribromide.

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

Brueckner, Alexander C. published the artcileVisible-light-mediated, nitrogen-centered radical amination of tertiary alkyl halides under metal-free conditions to form α-tertiary amines, Product Details of C6H12Br2, the publication is Organic & Biomolecular Chemistry (2016), 14(19), 4387-4392, database is CAplus and MEDLINE.

A mild and operationally convenient amino-functionalization of a range of tertiary alkyl halides by reaction with iminoiodinanes (PhI=NNs) and I₂ was developed. According to the mechanistic experiments described within the reaction was speculated to proceed through a light-promoted, N-centered radical pathway involving a N,N-diiodosulfonamide reactive species. This method of direct N-incorporation offers an attractive alternative to the production of α-tertiary amines, a synthetically challenging structural class found in a variety of bioactive mols.

Organic & Biomolecular Chemistry 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, Product Details of C6H12Br2.

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

Al-Zoubi, Raed M. published the artcileMild Silver(I)-Mediated Regioselective Iodination and Bromination of Arylboronic Acids, Product Details of C7H8BBrO3, the publication is Organic Letters (2010), 12(11), 2480-2483, database is CAplus and MEDLINE.

A convenient and regioselective silver(I)-mediated electrophilic iodination and bromination reaction of arylboronic acids has been developed. The boronic acid does not require protection prior to the reaction, which can be performed on a multigram scale with moderate to excellent yields. A mild, simple, and effective method is disclosed to provide ortho-haloarylboronic acids, e.g. I, that can be used as useful intermediates in selective sequential Suzuki-Miyaura cross-coupling reactions to provide ortho-triaryl derivatives, e.g. II, in good yields.

Organic Letters published new progress about 89694-44-0. 89694-44-0 belongs to bromides-buliding-blocks, auxiliary class Bromide,Boronic acid and ester,Benzene,Ether,Boronic Acids,Boronic acid and ester, name is 2-Bromo-5-methoxybenzene boronic acid, and the molecular formula is C7H8BBrO3, Product Details of C7H8BBrO3.

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