Tag: M.W=200-250

Wang, Chong; Chen, Lian-Hui; Deng, Chen-Liang; Zhang, Xing-Guo published the artcile< Synthesis of 3-trifluoromethylbenzofurans via palladium-catalyzed tandem elimination/annulation of β-chloro-β-(trifluoromethyl)styrenes with 2-halophenols>, Product Details of C7H4BrF3O, the main research area is chloro trifluoromethyl styrene halophenol palladium tandem elimination annulation catalyst; benzofuran trifluoromethyl preparation.

A palladium-catalyzed tandem elimination and annulation reaction has been developed. In this way, a variety of 3-trifluoromethylbenzofurans were prepared in moderate to good yields via tandem reaction of β-chloro-β-(trifluoromethyl)styrenes with 2-iodophenols and 2-bromophenols.

Synthesis published new progress about Aryl alkenes Role: RCT (Reactant), RACT (Reactant or Reagent) (β-chloro-β-trifluoromethyl). 81107-97-3 belongs to class bromides-buliding-blocks, and the molecular formula is C7H4BrF3O, Product Details of C7H4BrF3O.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Murai, Takuya; Xing, Yongning; Kurokawa, Mayu; Kuribayashi, Toshifumi; Nikaido, Masanori; Elboray, Elghareeb E.; Hamada, Shohei; Kobayashi, Yusuke; Sasamori, Takahiro; Kawabata, Takeo; Furuta, Takumi published the artcile< One-Pot Preparation of (NH)-Phenanthridinones and Amide-Functionalized [7]Helicene-like Molecules from Biaryl Dicarboxylic Acids>, Category: bromides-buliding-blocks, the main research area is phenanthridinone amide helicene preparation; biaryl dicarboxylic acid Curtius rearrangement cyclization.

A one-pot transformation of biaryl dicarboxylic acids to (NH)-phenanthridinone derivatives based on a Curtius rearrangement and subsequent basic hydrolysis was developed. This method is also applicable for the preparation of optically active amide-functionalized [7]helicene-like mols. Furthermore, aza[5]helicene derivatives with a phosphate moiety were isolated as a product of the Curtius rearrangement step in the case of substrates that bear chalcogen atoms. The stereostructures of these products, revealed by X-ray diffraction anal., suggested that chalcogen-bonding and pnictogen-bonding interactions might contribute to their stabilization. The configurational stability of the helicene-like mols. and their chiroptical properties were further investigated.

Journal of Organic Chemistry published new progress about Aromatic dicarboxylic acids Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 6942-39-8 belongs to class bromides-buliding-blocks, and the molecular formula is C8H6BrFO2, Category: bromides-buliding-blocks.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Qi, Lin-Jun; Shi, Chong-Yang; Chen, Peng-Fei; Li, Long; Fang, Gang; Qian, Peng-Cheng; Deng, Chao; Zhou, Jin-Mei; Ye, Long-Wu published the artcile< Gold-Catalyzed 1,1-Carboalkoxylation of Oxetane-Ynamides via Exocyclic Metal Carbenes: Divergent and Atom-Economical Synthesis of Tricyclic N-Heterocycles>, SDS of cas: 20776-50-5, the main research area is tricyclic nitrogen heterocycle preparation; ynamide oxetane preparation carboxylation gold catalyst.

Here, an unprecedented gold-catalyzed 1,1-carboalkoxylation of ynamides I (R1 = H, 4-Br, 5-Cl, 4-OMe, etc.; R2 = Ph, Me, 2-thienyl, etc.; R3 = Ts, Ms, benzenesulfonyl, etc.) for the generation of exocyclic gold carbenes via exo-cyclization under room temp was reported. Subsequent 1,2-N-migration and 1,2-H-migration into the gold carbenes lead to the divergent and atom-economical synthesis of valuable tetrahydrofuran-fused 1,4-dihydroquinolines II (R1 = H, 8-Br, 7-Cl, 8-OMe, etc.) and furoindolines III (R4 = H, 5-Br, 6-F, 5-OMe, etc.; R5 = Me, Et, n-Pr, etc.). Moreover, the asym. synthesis of these tricyclic N-heterocycles e.g., IV can be achieved by a chirality-transfer strategy, and the possibility of enantioselective cyclization via chiral gold-catalyzed kinetic resolution also emerges. In addition, the mechanistic rationale for this 1,1-carboalkoxylation, in particular accounting for the distinct migration into gold carbenes, is also strongly supported by theor. calculations

ACS Catalysis published new progress about Alkoxycarbonylation. 20776-50-5 belongs to class bromides-buliding-blocks, and the molecular formula is C7H6BrNO2, SDS of cas: 20776-50-5.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Pelissier, C.; Alexandru, A. published the artcile< Resonance parameters of the rho-meson from asymmetrical lattices>, Quality Control of 82-73-5, the main research area is resonance parameter rho meson asym lattice QCD.

We present a lattice QCD calculation of the parameters of the ρ meson decay. The study is carried out on spatially asym. boxes using nHYP-smeared clover fermions with two mass-degenerate quark flavors. Our calculations are carried out at a pion mass mπ = 304(2) MeV on the set of lattices V = 242 × η24 × 48 with η = 1.0, 1.25, and 2.0 with lattice spacing a = 0.1255(7) fm. The resonance mass mρ = 827(3)(5) MeV and coupling constant gρππ = 6.67(42) are calculated using the P-wave scattering phase shifts. We construct a 2 × 2 correlation matrix to extract the energy of the scattering states and compute the phase shifts using the finite volume formula. By varying the degree of asymmetry, we are able to compute a set of phase shifts that are evenly distributed throughout the spectral region where the ρ decays.

Physical Review D: Particles, Fields, Gravitation, and Cosmology published new progress about Lattice QCD. 82-73-5 belongs to class bromides-buliding-blocks, and the molecular formula is C8H3BrO3, Quality Control of 82-73-5.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Meazza, Marta; Tur, Fernando; Hammer, Niels; Jorgensen, Karl Anker published the artcile< Synergistic Diastereo- and Enantioselective Functionalization of Unactivated Alkyl Quinolines with α,β-Unsaturated Aldehydes>, Recommanded Product: 3-(4-Bromophenyl)acrylaldehyde, the main research area is quinoline stereoselective derivative preparation; alkylquinoline unsaturated aldehyde organocatalyst cyclization; asymmetric catalysis; heterocycles; indium; organocatalysis; synergistic catalysis.

An alkyl functionalization of unactivated alkyl quinolines has been developed combining InCl3 activation with organocatalytic activation of α,β-unsaturated aldehydes in a synergistic fashion. The reaction proceeds in a highly stereoselective manner as a sequence involving two consecutive synergistic catalytic cycles (Lewis acid- and iminium ion-catalyzed) and requires neither pre-activated alkyl quinoline substrates with electron-withdrawing substituents nor highly activated electrophiles. The reaction provides selectively double- or mono-addition products in good yields and high to excellent stereoselectivities. Furthermore, based on spectroscopic and labeling experiments, the mechanisms for the reactions are discussed.

Angewandte Chemie, International Edition published new progress about Aldehydes Role: RCT (Reactant), RACT (Reactant or Reagent). 3893-18-3 belongs to class bromides-buliding-blocks, and the molecular formula is C9H7BrO, Recommanded Product: 3-(4-Bromophenyl)acrylaldehyde.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Alaasar, Mohamed; Darweesh, Ahmed F.; Cai, Xiaoqian; Liu, Feng; Tschierske, Carsten published the artcile< Mirror Symmetry Breaking and Network Formation in Achiral Polycatenars with Thioether Tail>, Recommanded Product: 5-Bromo-2,2′-bithiophene, the main research area is alkylsulfanylbenzoyl oxyphenyl dithienylphenyl trialkoxybenzoate preparation thermal stability; bithophene; chirality; cubic phases; liquid crystals; mirror symmetry breaking; soft matter.

The design and mol. self-assembly of two series of rod-like achiral polycatenar mols. derived from a π-conjugated 5,5′-diphenyl-2,2′-bithiophene core with a fork-like triple alkoxylated end and a variable single alkylthio chain at the other end was discussed. In both series of liquid crystalline materials, differed in the chain length at the trialkoxylated end, helical self-assembly of the π-conjugated rods in networks occurs, leading to wide temperature ranges (>200 K) of bicontinuous cubic network phases, in some cases it stayed stable even around ambient temperatures The achiral bicontinuous cubic Ia3d phase (gyroid) was replaced upon alkylthio chain elongation by a spontaneous mirror symmetry broken bicontinuous cubic phase (I23) and a chiral isotropic liquid phase (Iso1[*]). Further chain elongation resulted in removing the I23 phase and the re-appearance of the Ia3d phase with different pitch lengths. In the second series an addnl. tetragonal phase separated the two cubic phase types.

Chemistry – A European Journal published new progress about Benzoates Role: PRP (Properties), RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 3480-11-3 belongs to class bromides-buliding-blocks, and the molecular formula is C8H5BrS2, Recommanded Product: 5-Bromo-2,2′-bithiophene.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Kubota, Koji; Endo, Tsubura; Uesugi, Minami; Hayashi, Yuta; Ito, Hajime published the artcile< Solid-State C-N Cross-Coupling Reactions with Carbazoles as Nitrogen Nucleophiles Using Mechanochemistry>, Product Details of C8H5BrS2, the main research area is arylcarbazole preparation; aryl halide arylcarbazole solid state cross coupling palladium catalyst; ball milling; carbazole; cross-coupling; mechanochemistry; solid-state reaction.

The palladium-catalyzed solid-state C-N cross-coupling of carbazoles with aryl halides via a high-temperature ball-milling technique was reported. This reaction allowed simple, fast, and efficient synthesis of N-arylcarbazole derivatives I [R1 = 4-MePh, 2-naphthyl, 9-pyrenyl, etc.; R2 = H, t-Bu, Ph, etc.] in good to excellent yields without the use of large amounts of organic solvents in air. Importantly, the developed solid-state coupling approach enabled the cross-coupling of poorly soluble aryl halides with large polyaromatic structures that are barely reactive under conventional solution-based conditions.

ChemSusChem published new progress about Aryl bromides Role: RCT (Reactant), RACT (Reactant or Reagent). 3480-11-3 belongs to class bromides-buliding-blocks, and the molecular formula is C8H5BrS2, Product Details of C8H5BrS2.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Fatima, Aysha; Khanum, Ghazala; Sharma, Arun; Garima, Km; Savita, Sandhya; Verma, Indresh; Siddiqui, Nazia; Javed, Saleem published the artcile< Computational, spectroscopic, Hirshfeld surface, electronic state and molecular docking studies on phthalic anhydride>, Name: 4-Bromoisobenzofuran-1,3-dione, the main research area is phthalic anhydride Hirshfeld surface docking.

Phthalic anhydride (PA) was studied spectroscopically by NMR (1H NMR and 13C NMR), FT-IR, UV-Visible and quantum chem. by DFT approach.3D and 2D surface anal. was carried by Hirshfeld surface. B3LYP method and 6-311++G(d,p) basis set were employed for optimization of mol. structure and for calculation of wave numbers of normal modes of vibrations. Detailed description of intermol. interactions of crystal surface was done by 3D Hirshfeld surface anal. and 2D finger print plots. Hirshfeld surface also helps to explore intermol. interactions in PA crystal. Hole and Electron d. distribution maps were drawn in 2 different excited states of higher oscillatory strength with DMSO, MeOH as solvents. Structure was optimized and optimized bond lengths and angles were compared with the exptl. bond lengths and Bond angle Parameters, were found in good agreement with each other. Complete potential energy distribution assignments were done successfully by VEDA and 1H NMR and 13C NMR shifts were estimated by GIAO method and results were compared with exptl. spectra. TDDFT method and PCM solvent model was utilized for electronic property anal. such as UV-Vis (in gas phase, ethanol and DMSO) and compared with the exptl. UV-Vis spectra. The HOMO/LUMO energy results emphasize adequate charge transfer is happened within the mol. Study of donor-acceptor interconnections were done via NBO anal. MEP surface anal. was done to demonstrate charge distribution in mol. The degree of relative localization of electrons was analyzed via FLF Diagram. The Fukui function anal. give information regarding possible sites for attacks by different substituents. Mol. electrostatic potential (MEP) surface was drawn for anal. of reactive sites via 3-D color representation. The biol. study such as mol. docking was done with 6 different receptors to find the best ligand protein interactions and drug likeness was also carried out and found drug like character.

Journal of Molecular Structure published new progress about Atomic charge. 82-73-5 belongs to class bromides-buliding-blocks, and the molecular formula is C8H3BrO3, Name: 4-Bromoisobenzofuran-1,3-dione.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Chacon-Huete, Franklin; Lasso, Juan David; Szavay, Paul; Covone, Jason; Forgione, Pat published the artcile< Synthesis of 2,5-diaryl nonsymmetric furans C6-platform chemicals via catalytic conversion of biomass and the formal synthesis of dantrolene>, HPLC of Formula: 401-78-5, the main research area is diarylfuran preparation biomass furancarboxylic acid decarboxylation arylation aryl bromide.

Biomass-derived commodity chem. 5-hydroxymethyl furfural is an underutilized C6-platform chem. derived from cellulose that is ideal to prepare next-generation value-added products. We have developed an efficient synthetic strategy to access 2,5-diaryl nonsym. furans from 5-hydroxymethyl furfural utilizing decarboxylative cross-couplings. A key finding was that the presence of the hydroxymethyl handle enhances the yields of the palladium-catalyzed decarboxylative cross-coupling reaction. The method provides access to a broad-range nonsym. 2,5-diaryl furans where each arene can be systematically introduced as required. Addnl., this green synthetic strategy was employed for a formal synthesis of the muscle relaxant Dantrolene in excellent yields.

Journal of Organic Chemistry published new progress about Aryl bromides Role: RCT (Reactant), RACT (Reactant or Reagent). 401-78-5 belongs to class bromides-buliding-blocks, and the molecular formula is C7H4BrF3, HPLC of Formula: 401-78-5.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Zhang, Tianyu; Yang, Zhenkun; Zhou, Dapeng; Meng, Fuliang; Han, Zhengyu; Huang, Hai published the artcile< Non-metal Lewis acid-catalyzed cross-Claisen condensation for β-keto esters>, Safety of Ethyl 2-(3-bromophenyl)acetate, the main research area is alkoxy silyl ketene acetal keto ester Lewis acid catalyst; keto alkoxy ester cehmoselective preparation Claisen condensation.

A new catalytic and highly chemoselective cross-Claisen condensation of esters was disclosed. In the presence of TBSNTf2 as a non-metal Lewis acid, various esters can undergo cross-Claisen condensation to form β-keto esters which are important building blocks. Compared with the traditional Claisen condensation, this process, employing silyl ketene acetals (SKAs) as carbonic nucleophiles to achieve cross-Claisen condensation, requires mild conditions and has good tolerance of functional groups.

Organic & Biomolecular Chemistry published new progress about 1,3-Dicarbonyl compounds Role: SPN (Synthetic Preparation), PREP (Preparation). 14062-30-7 belongs to class bromides-buliding-blocks, and the molecular formula is C10H11BrO2, Safety of Ethyl 2-(3-bromophenyl)acetate.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary