Category: 639520-70-0

Grasel, Fabio Dos Santos; Charao De Oliveira, Tiago; Fontoura, Luiz Antonio Mazzini; Rigotti, Italo Jose Da Cruz; Netz, Paulo Augusto published the artcile< N-arylamides and N-arylcarbamates N-CO internal rotation barrier study by molecular modeling>, Name: tert-Butyl (4-bromophenyl)(methyl)carbamate, the main research area is arylamide arylcarbamate internal rotation barrier mol modeling.

Amides and carbamates present an energetic barrier associated to N-C(O) bond rotation, which determines two different equilibrium geometries. In this work, the conformational equilibrium of formanilide, acetanilide, Me and t-Bu phenylcarbamates, and their N-methylderivatives was studied by AM1 and B3LYP/6-31G(d,p) calculations The effect of aryl p-substituents (MeO, Me, Cl, Br, CN, and NO2) was also studied. Amide barriers were found by DFT calculation between 12 and 21 kcal/mol. Carbamates, on the other hand, showed barriers between 11 and 15 kcal/mol. AM1 underestimates the energetic barriers and provides values around half those obtained by B3LYP/6-31G(d,p) calculations Electron withdrawing substituents on aryl group decrease the barrier. © 2011 Wiley Periodicals, Inc. Int J Quantum Chem, 2012.

International Journal of Quantum Chemistry published new progress about Bond angle, dihedral. 639520-70-0 belongs to class bromides-buliding-blocks, and the molecular formula is C12H16BrNO2, Name: tert-Butyl (4-bromophenyl)(methyl)carbamate.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Bonin, Helene; Leuma-Yona, Rodrigue; Marchiori, Bruno; Demonchaux, Patrice; Gras, Emmanuel published the artcile< Highly practical boronic acid surrogates for the Suzuki-Miyaura cross-coupling>, Application In Synthesis of 639520-70-0, the main research area is biaryl preparation; Suzuki Miyaura cross coupling aryl bromide oxazaborocane boronic acid.

Boronic acids and esters are well known substrates for the Suzuki-Miyaura cross-coupling, yet their isolation can sometimes be tedious. We report here that the use of aryl dioxazaborocanes afford a simple isolation procedure while keeping a high efficiency in the cross-coupling process.

Tetrahedron Letters published new progress about Aryl bromides Role: RCT (Reactant), RACT (Reactant or Reagent). 639520-70-0 belongs to class bromides-buliding-blocks, and the molecular formula is C12H16BrNO2, Application In Synthesis of 639520-70-0.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Jiao, Zhiwei; Beiger, Jason J.; Jin, Yushu; Ge, Shaozhong; Zhou, Jianrong Steve; Hartwig, John F. published the artcile< Palladium-Catalyzed Enantioselective α-Arylation of α-Fluoroketones>, Application of C12H16BrNO2, the main research area is palladium catalyst stereoselective arylation fluoroketone.

The transition-metal-catalyzed α-arylation of carbonyl compounds is a widely practiced method for C-C bond formation. Several enantioselective versions of this process have been reported, but intermol., enantioselective coupling reactions of aryl electrophiles with α-fluoro carbonyl compounds have yet to be disclosed. We report enantioselective coupling of aryl and heteroaryl bromides and triflates with α-fluoroindanones catalyzed by palladium complexes of a BINOL-derived monophosphine and Segphos, resp. The enolates were generated directly from α-fluoroindanones in the presence of potassium phosphate base during the reactions. We also report that reactions of α-fluorotetralones occur in high yields and enantioselectivities when conducted with enolates generated by elimination of trifluoroacetate from trifluoromethyl β-diketone hydrates. These reactions were catalyzed by palladium complexes of the com. available bisphosphine Difluorphos. Thus, the formation of enantioenriched α-aryl-α-fluoroketones can be readily achieved by C-C bond formation when the appropriate palladium catalyst and α-fluoro enolate precursor were used.

Journal of the American Chemical Society published new progress about Aryl bromides Role: RCT (Reactant), RACT (Reactant or Reagent). 639520-70-0 belongs to class bromides-buliding-blocks, and the molecular formula is C12H16BrNO2, Application of C12H16BrNO2.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Yoshida, Suguru; Igawa, Kazunobu; Tomooka, Katsuhiko published the artcile< Nucleophilic Substitution Reaction at the Nitrogen of Arylsulfonamides with Phosphide Anion>, HPLC of Formula: 639520-70-0, the main research area is nucleophilic substitution arylsulfonamide phosphide anion; phosphamide preparation nucleophilic substitution arylsulfonamide phosphide anion; amine preparation nucleophilic substitution arylsulfonamide phosphide anion; protected amine preparation nucleophilic substitution arylsulfonamide phosphide anion.

A novel nucleophilic substitution reaction at the nitrogen of arylsulfonamides by means of phosphide anions has been described. This reaction allows for the efficient transformation of arylsulfonamides into synthetically valuable phosphamides, amines, and a variety of protected amines.

Journal of the American Chemical Society published new progress about Acid hydrolysis (of phosphinamide N-P bond). 639520-70-0 belongs to class bromides-buliding-blocks, and the molecular formula is C12H16BrNO2, HPLC of Formula: 639520-70-0.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Ge, Shaozhong; Chaladaj, Wojciech; Hartwig, John F. published the artcile< Pd-Catalyzed α-Arylation of α,α-Difluoroketones with Aryl Bromides and Chlorides. A Route to Difluoromethylarenes>, Related Products of 639520-70-0, the main research area is difluoroketone aryl heteroaryl bromide chloride arylation palladacycle catalyst; aryldifluoroketone preparation aryl acyl bond cleavage; difluoromethylarene difluoromethylheteroarene preparation.

We report the Pd-catalyzed α-arylation of α,α-difluoroketones with aryl and heteroaryl bromides and chlorides catalyzed by an air- and moisture-stable palladacyclic complex containing P(t-Bu)Cy2 as ligand. The combination of this Pd-catalyzed arylation and base-induced cleavage of the acyl-aryl C-C bond within the α-aryl-α,α-difluoroketone constitutes a one-pot, two-step procedure to synthesize difluoromethylarenes from aryl halides. A broad range of electronically varied aryl and heteroaryl bromides and chlorides underwent these two transformations, providing α-aryl-α,α-difluoroketones, difluoromethylarenes, and difluoromethylheteroarenes in high yields.

Journal of the American Chemical Society published new progress about Aralkyl halides Role: SPN (Synthetic Preparation), PREP (Preparation) (difluoromethyl arenes). 639520-70-0 belongs to class bromides-buliding-blocks, and the molecular formula is C12H16BrNO2, Related Products of 639520-70-0.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Martinelli, Joseph R.; Watson, Donald A.; Freckmann, Dominique M. M.; Barder, Timothy E.; Buchwald, Stephen L. published the artcile< Palladium-Catalyzed Carbonylation Reactions of Aryl Bromides at Atmospheric Pressure: A General System Based on Xantphos>, Quality Control of 639520-70-0, the main research area is heteroaryl aryl bromide chloride dimethylhydroxylamine hydrochloride cyclic aliphatic amine; methanol palladium Xantphos aminocarbonylation alkoxycarbonylation; Weinreb amide benzamide methyl ester preparation; aminocarbonylation alkoxycarbonylation catalyst palladium Xantphos.

A method for the Pd-catalyzed carbonylation of aryl bromides has been developed using Xantphos as the ligand. This method is effective for the direct synthesis of Weinreb amides, 1° and 2° benzamides, and Me esters from the corresponding aryl bromides at atm. pressure. In addition, a putative catalytic intermediate, (Xantphos)Pd(Br)benzoyl, was prepared and an X-ray crystal structure was obtained revealing an unusual cis-coordination mode of Xantphos in this palladium-acyl complex.

Journal of Organic Chemistry published new progress about Aliphatic amines Role: RCT (Reactant), RACT (Reactant or Reagent). 639520-70-0 belongs to class bromides-buliding-blocks, and the molecular formula is C12H16BrNO2, Quality Control of 639520-70-0.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Chen, Ming; Ren, Zhi-Hui; Wang, Yao-Yu; Guan, Zheng-Hui published the artcile< Palladium-Catalyzed Oxidative Carbonylation of Aromatic C-H Bonds of N-Alkylanilines with CO and Alcohols for the Synthesis of o-Aminobenzoates>, Application In Synthesis of 639520-70-0, the main research area is palladium catalyzed oxidative carbonylation alkylaniline aminobenzoate preparation; alkylaniline aliphatic alc phenol monocarbonylation mild carbon monoxide pressure.

A Pd(II)-catalyzed C-H monocarbonylation of N-alkylanilines for the synthesis of o-aminobenzoates has been developed. Various aliphatic alcs. and phenol were tolerated in the reaction to afford the corresponding o-aminobenzoates in good yields under mild balloon pressure of CO.

Journal of Organic Chemistry published new progress about Alcohols Role: RCT (Reactant), RACT (Reactant or Reagent). 639520-70-0 belongs to class bromides-buliding-blocks, and the molecular formula is C12H16BrNO2, Application In Synthesis of 639520-70-0.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Smith, Bradley D.; Goodenough-Lashua, DeeAnne M.; D’Souza, Carlisle J. E.; Norton, Kieran J.; Schmidt, Leslie M.; Tung, James C. published the artcile< Substituent effects on the barrier to carbamate C-N rotation>, Formula: C12H16BrNO2, the main research area is substituent effect barrier carbamate carbon nitrogen rotation.

Seven aryl-substituted t-Bu N-methyl-N-aryl carbamates were prepared, and in each case, the barrier to C-N bond rotation, ΔG‡, was determined in CDCl3 solution using variable temperature NMR. A linear free energy relationship is observed between ΔG‡ and the electronic stabilization effect of the substituent on the N-aryl ring. More specifically, electron donating groups increase ΔG‡, whereas withdrawing groups decrease ΔG‡. A plot against σ- was more linear (r2=0.96), than a plot against σ (r2 = 0.90) or σ+ (r2 = 0.88) and a value of ρ = 1.76 was obtained at 243 K. Thus, rotation about the carbamate C-N bond in weakly polar chloroform involves a decrease in pos. charge on the nitrogen.

Tetrahedron Letters published new progress about C-N bond. 639520-70-0 belongs to class bromides-buliding-blocks, and the molecular formula is C12H16BrNO2, Formula: C12H16BrNO2.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Pocinho, Alexandre; Mallet-Ladeira, Sonia; Hureau, Christelle; Gras, Emmanuel published the artcile< N,N′-Bis(4-bromophenyl)-N,N′-dimethylurea>, Quality Control of 639520-70-0, the main research area is bisbromophenyl dimethylurea preparation crystal structure.

The structure of the title compound, C15H14Br2N2O, at 180 K has monoclinic (P21/n) symmetry. It was obtained unexpectedly from the decomposition of the parent 4-bromo-N-tert-butoxycarbonyl-N-methyl-aniline. It exhibits an ′endo′ conformation with angles between the two aromatic rings slightly lower than the average values found for similar compounds on the Cambridge Structural Database. In the crystal, C-H···O hydrogen bonds and short Br···Br halogen bonds [3.444 (1) Å] are observed

IUCrData published new progress about Crystal structure. 639520-70-0 belongs to class bromides-buliding-blocks, and the molecular formula is C12H16BrNO2, Quality Control of 639520-70-0.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Martinelli, Joseph R.; Freckmann, Dominique M. M.; Buchwald, Stephen L. published the artcile< Convenient Method for the Preparation of Weinreb Amides via Pd-Catalyzed Aminocarbonylation of Aryl Bromides at Atmospheric Pressure>, SDS of cas: 639520-70-0, the main research area is Weinreb amide preparation; palladium catalyst aminocarbonylation aryl bromide; phosphine ligand palladium catalyst aminocarbonylation; benzamide methoxymethyl preparation.

The direct transformation of aryl bromides into the corresponding Weinreb amides via Pd-catalyzed aminocarbonylation at atm. pressure was reported. Thus, reaction of 3-BrC6H4CN and MeNHOMe.HCl with CO in toluene containing Pd(OAc)2, the bidentate P ligand Xantphos, and Na2Co3 at 80° gave 88% 3-BrC6H4CONMeOMe.

Organic Letters published new progress about Amides Role: SPN (Synthetic Preparation), PREP (Preparation). 639520-70-0 belongs to class bromides-buliding-blocks, and the molecular formula is C12H16BrNO2, SDS of cas: 639520-70-0.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary