Month: October 2022

Kim, Jin-Hyoung; Kim, So-Yoen; Jang, Seol; Yi, Seungjun; Cho, Dae Won; Son, Ho-Jin; Kang, Sang Ook published the artcile< Blue Phosphorescence with High Quantum Efficiency Engaging the Trifluoromethylsulfonyl Group to Iridium Phenylpyridine Complexes>, Electric Literature of 2252-45-1, the main research area is iridium trifluoromethylsulfonylphenylpyridine complex synthesis crystal mol structure blue phosphorescence; cyclic voltammetry iridium trifluoromethylsulfonylphenylpyridine complex.

Incorporation of an electron-withdrawing – SO2CF3 substituent to cyclometalating CN̂-phenylpyridine (ppy) ligand resulted in an expected blue-shifted phosphorescence in the corresponding homoleptic Ir(ppySCF3)3 complex, showing the emission of λem = 464 nm at 300 K. One of its heteroleptic derivatives, modified by a pyrazolyl borate LX ligand, Ir(ppySCF3)2(bor), exhibited further blue-shifted phosphorescence of λem = 460 nm at 300 K. Cyclic voltammograms (CVs) and d.-functional theory (DFT) calculations supported the efficacy of the electron-withdrawing capability of the SO2CF3 substituent lowering HOMO energy, and obtained widened bandgaps and resumed blue emissions for all of the Ir complexes studied. The homoleptic complexes of both substituents, Ir(ppySCF3)3 and Ir(ppySF)3, reached the higher quantum yields (ΦPL) of (0.89 and 0.72), resp. Similarly, emission quantum yields (ΦPL) of the heteroleptic derivatives were reported to be (0.75, 0.83, and 0.87) for Ir(ppySCF3)2(acac), Ir(ppySCF3)2(bor), and Ir(ppySCF3)2(pic), resp. Emission kinetics support the enhanced quantum efficiency when kr and knr values are compared between Ir(ppySCF3)3 and Ir(ppySF)3, and both values favorably contribute to attaining a higher quantum efficiency for Ir(ppySCF3)3. Among solution-processed multilayered devices having an ITO/PEDOT:PSS/TCTA:Ir dopant (10:1, weight/weight)/TmPyPB/Liq/Al structure, a heteroleptic dopant, Ir(ppySCF3)2(bor), exhibited better device performance, reporting an external quantum efficiency (EQE) of 1.14%, current efficiency (CE) of 2.31 cd A-1, and power efficiency (PE) of 1.21 lm W1-, together with blue chromaticity of CIEx,y = (0.16, 0.32). Blue phosphorescence of Ir(III) complexes can be tuned with the introducing of strong electron withdrawing substituents and the variation in the ancillary ligands. Crystallog. data are given.

Inorganic Chemistry published new progress about Crystal structure. 2252-45-1 belongs to class bromides-buliding-blocks, and the molecular formula is C7H4BrF3S, Electric Literature of 2252-45-1.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Kim, Ju-Hye; Park, Eun-Jin; Lee, Hwa-Jung; Ho, Xuan-Huong; Yoon, Hyo-Sang; Kim, Pilsoo; Yun, Hoseop; Jang, Hye-Young published the artcile< Tandem Iminium/Copper Catalysis: Highly Enantioselective Synthesis of α,β-Disubstituted Aldehydes>, COA of Formula: C9H7BrO, the main research area is iminium copper catalyst enantioselective aldehyde Michael addition.

With the goal of synthesizing biol. and synthetically valuable products under environmentally benign and economic conditions, an asym. organocatalytic reaction was combined with a copper catalytic reaction. This iminium/copper catalysis allowed highly optically active α,β-disubstituted aldehydes to be synthesized with good yields in one-pot fashion. The β-substitution took place through iminium-catalyzed Michael addition of nitromethane or di-Et malonate to the α,β-unsaturated aldehydes, followed by copper-assisted addition of TEMPO (2,2,6,6-tetramethylpiperidin-1-yloxyl) at the aldehyde α-position. An iminium/copper-catalyzed tandem addition product was converted into a 3,4,5-trisubstituted piperidine for x-ray crystallog. anal.

European Journal of Organic Chemistry published new progress about Crystal structure. 3893-18-3 belongs to class bromides-buliding-blocks, and the molecular formula is C9H7BrO, COA of Formula: C9H7BrO.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Zheng, Bingxiao; Xu, Jiao; Song, Jinliang; Wu, Haihong; Mei, Xuelei; Zhang, Kaili; Han, Wanying; Wu, Wei; He, Mingyuan; Han, Buxing published the artcile< Nanoparticles and single atoms of cobalt synergistically enabled low-temperature reductive amination of carbonyl compounds>, Category: bromides-buliding-blocks, the main research area is primary amine preparation; aldehyde ketone reductive amination cobalt catalyst.

Herein, authors designed several Co-based catalysts (denoted as Co@C-N(x), where x represents the pyrolysis temperature) by the pyrolysis of the metal-organic framework ZIF-67 at different temperatures Very interestingly, the prepared Co@C-N(800) could efficiently catalyze the reductive amination of various aldehydes/ketones to synthesize the corresponding primary amines with high yields at 35°C. Besides non-noble metal and mild temperature, the other unique advantage of the catalyst was that the substrates with different reduction-sensitive groups could be converted into primary amines selectively because the Co-based catalyst was not active for these groups at low temperature Systematic anal. revealed that the catalyst was composed of graphene encapsulated Co nanoparticles and atomically dispersed Co-Nx sites. The Co particles promoted the hydrogenation step, while the Co-Nx sites acted as acidic sites to activate the intermediate (Schiff base). The synergistic effect of metallic Co particles and Co-Nx sites is crucial for the excellent performance of the catalyst Co@C-N(800). To the best of knowledge, this is the first study on efficient synthesis of primary amines via reductive amination of carbonyl compounds over earth-abundant metal-based catalysts at low temperature (35°C).

Chemical Science published new progress about Aldehydes Role: RCT (Reactant), RACT (Reactant or Reagent). 3959-07-7 belongs to class bromides-buliding-blocks, and the molecular formula is C7H8BrN, Category: bromides-buliding-blocks.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Zhao, Haihong; Zhao, Ning; Matus, Ekaterina V.; Ismagilov, Zinfer R.; Li, Lei; Xiao, Fukui published the artcile< Preparation and modulation of Cu-BTC-(n)Br/MCFs with water stability and its application for CO2 capture>, Quality Control of 576-83-0, the main research area is copper trimesic acid bromine MCF water carbon dioxide capture.

In this study, a novel composite Cu-BTC-(n)Br/MCFs was successfully synthesized by solvothermal method. The composites were characterized by XRD, N2 adsorption and desorption, SEM, FT-IR, TG, and water vapor adsorption technologies. Meanwhile, the CO2 adsorption isotherms were obtained using the static adsorption instrument which could be well fitted by the Langmuir-Freundlich model. The Cu-BTC-0.05Br/MCFs exhibited a good CO2 adsorption capacity of 2.44 mmol/g which was basically maintained after five adsorption-desorption cycles. More importantly, the Cu-BTC-0.05Br/MCFs also showed remarkable adsorption effectivity that was an increase of 8.7% than the Cu-BTC/MCFs at 35 °C and 1 bar after water treatment. The Cu-BTC-(n)Br/MCFs were promising candidate materials for effectively CO2 capture in practical application.

Journal of Environmental Chemical Engineering published new progress about Adsorption. 576-83-0 belongs to class bromides-buliding-blocks, and the molecular formula is C9H11Br, Quality Control of 576-83-0.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Zhou, Haiping; Jiang, Junhao; Lu, Jinyu; Ran, Dongzhi; Gan, Zongjie published the artcile< Synthesis and biological evaluation of novel 2,4-dianilinopyrimidine derivatives as potent dual janus kinase 2 and histone deacetylases inhibitors>, Product Details of C7H4BrF3, the main research area is dianilinopyrimidine preparation janus kinase histone deacetylase inhibitor antitumor docking; tert butyl chloro pyrimidinyl amino benzenesulfonamide preparation; phenyl bromide chloro pyrimidinyl amine Buchwald Hartwig.

Herein, a novel series of 2,4-dianilinopyrimidine derivatives, I [R1 = 3-SO2NHC(CH3)3, 3-F, 3-SO2NHCH(CH3)2, etc.; R2 = H, Me; n = 0, 3, 5, 6] was presented which could simultaneously inhibit JAK2 and HDAC1. Among which, I [R1 = 3-OMe, R2 = Me, n = 6] was found to be the most potent compound and displayed balanced inhibitory activity against HDAC1 (IC50 = 1.9 nM) and JAK2 (IC50 = 0.5 nM), resp. [R1 = 3-OMe, R2 = Me, n = 6] also demonstrated good antiproliferative activity against tested cancer cell lines (A549, HepG-2, MDA-MB-231 and Jurkat). Moreover, flow cytometric anal. showed that I [R1 = 3-OMe, R2 = Me, n = 6] induced apoptosis and cell cycle arrest in a dose-dependent manner, and the insight into mechanisms of I [R1 = 3-OMe, R2 = Me, n = 6] indicated that it could decrease the phosphorylation of STAT-3 and promote histone acetylation. In conclusion, these results together suggested that I [R1 = 3-OMe, R2 = Me, n = 6] would be a promising lead candidate and deserved further research and development.

Journal of Molecular Structure published new progress about Antiproliferative agents. 401-78-5 belongs to class bromides-buliding-blocks, and the molecular formula is C7H4BrF3, Product Details of C7H4BrF3.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Kozikowski, Alan P.; Shen, Sida; Pardo, Marta; Tavares, Mauricio T.; Szarics, Dora; Benoy, Veronick; Zimprich, Chad A.; Kutil, Zsofia; Zhang, Guiping; Barinka, Cyril; Robers, Matthew B.; Van Den Bosch, Ludo; Eubanks, James H.; Jope, Richard S. published the artcile< Brain Penetrable Histone Deacetylase 6 Inhibitor SW-100 Ameliorates Memory and Learning Impairments in a Mouse Model of Fragile X Syndrome>, Computed Properties of 128577-47-9, the main research area is Phenylhydroxamate permeability Ames neg acetylated memory and learning impairments; Ames negative; Phenylhydroxamate; acetylated α-tubulin; memory and learning impairments; permeability.

Disease-modifying therapies are needed for Fragile X Syndrome (FXS), as at present there are no effective treatments or cures. Herein, we report on a tetrahydroquinoline-based selective histone deacetylase 6 (HDAC6) inhibitor SW-100, its pharmacol. and ADMET properties, and its ability to improve upon memory performance in a mouse model of FXS, Fmr1-/- mice. This small mol. demonstrates good brain penetrance, low-nanomolar potency for the inhibition of HDAC6 (IC50 = 2.3 nM), with at least a thousand-fold selectivity over all other class I, II, and IV HDAC isoforms. Moreover, through its inhibition of the α-tubulin deacetylase domain of HDAC6 (CD2), in cells SW-100 upregulates α-tubulin acetylation with no effect on histone acetylation and selectively restores the impaired acetylated α-tubulin levels in the hippocampus of Fmr1-/- mice. Lastly, SW-100 ameliorates several memory and learning impairments in Fmr1-/- mice, thus modeling the intellectual deficiencies associated with FXS, and hence providing a strong rationale for pursuing HDAC6-based therapies for the treatment of this rare disease.

ACS Chemical Neuroscience published new progress about Blood-brain barrier. 128577-47-9 belongs to class bromides-buliding-blocks, and the molecular formula is C9H8BrFO2, Computed Properties of 128577-47-9.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Wang, Tao; Wang, Yi-Ning; Wang, Rui; Zhang, Bo-Chao; Yang, Chi; Li, Yan-Lin; Wang, Xi-Sheng published the artcile< Enantioselective cyanation via radical-mediated C-C single bond cleavage for synthesis of chiral dinitriles>, Safety of 3-Bromobenzotrifluoride, the main research area is chiral dinitrile enantioselective preparation; cycloalkanone oxime ester enantioselective cyanation copper catalyst.

Herein, radical-mediated ring-opening and enantioselective cyanation of four- and five-membered cycloketone oxime esters was described to access chiral 1,5- and 1,6-dinitriles ArCHCN(CH2)nCN [R = Ph, 1-naphthyl, 2-naphthyl, etc.; n = 2, 3] with R-stereochem. Employment of dual photoredox/copper catalysis was essential for the asym. ring-opening cyanation of cyclopentanone oxime esters. Both reactions proceeded under mild conditions giving chiral dinitriles in high yields and enantioselectivity with low catalyst loading and broad substrate scope. The products dinitriles could be converted to valuable optically active diamides and diamines. Mechanistic studies indicate that the benzylic radical generated via C-C single bond cleavage was involved in the catalytic cycle.

Nature Communications published new progress about C-C bond cleavage. 401-78-5 belongs to class bromides-buliding-blocks, and the molecular formula is C7H4BrF3, Safety of 3-Bromobenzotrifluoride.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Zheng, Kewang; Xiao, Guanlin; Guo, Tao; Ding, Yalan; Wang, Chengdong; Loh, Teck-Peng; Wu, Xiaojin published the artcile< Intermolecular Reductive Heck Reaction of Unactivated Aliphatic Alkenes with Organohalides>, HPLC of Formula: 3480-11-3, the main research area is aryl carboxamide regioselective preparation; alkene organohalide reductive Hexk reaction palladium catalyst.

A general intermol. reductive Heck reaction of organohalides with both terminal and internal unactivated aliphatic alkenes has been first realized in high yield with complete anti-Markovnikov selectivity. The challenging vinyl bromides, aryl chlorides, and polysubstituted internal alkenes were first applied. More than 100 remote carbofunctionalized alkyl carboxylic acid derivatives were rapidly synthesized from easily accessible starting materials. The synthesis of drug mols. has further demonstrated the wide synthetic utility of this scalable strategy. Preliminary mechanistic studies are consistent with the proposed catalytic cycle.

Organic Letters published new progress about Alkenes Role: 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, HPLC of Formula: 3480-11-3.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Niu, Zhiqiang; He, Xinwei; Shang, Yongjia published the artcile< The efficient enantioselective synthesis of dihydropyrans via organocatalytic Michael addition reactions>, Product Details of C9H7BrO, the main research area is dihydropyran enantioselective preparation; cyanoketone alkenal enantioselective Michael addition organocatalyst.

An asym. Michael addition of α-cyanoketones to α,β-unsaturated aldehydes to form chiral dihydropyrans catalyzed by L-diphenylprolinol trimethylsilyl ether is presented. A series of 3,4-dihydropyrans were obtained in excellent yields (up to 91%) and enantioselectivities (up to 98% ee). A plausible mechanism for this process is proposed.

Tetrahedron: Asymmetry published new progress about Alkenals Role: RCT (Reactant), RACT (Reactant or Reagent). 3893-18-3 belongs to class bromides-buliding-blocks, and the molecular formula is C9H7BrO, Product Details of C9H7BrO.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Eberson, L.; Welinder, H. published the artcile< Cyclic anhydrides. III. Equilibrium constants for the acid-anhydride equilibrium in aqueous solutions of certain vicinal diacids>, Safety of 4-Bromoisobenzofuran-1,3-dione, the main research area is cyclic anhydrides equilibrium constant; acid anhydride equilibrium; vicinal diacids anhydrides equilibrium; succinic acid anhydrides equilibrium; alicyclic acid anhydrides equilibrium; maleic acid anhydrides equilibrium; phthalic acid anhydrides equilibrium.

Equilibrium constant were measured for the equilibrium diacid ⇌ anhydride + H2O in aqueous solutions of a number of vicinal diacids, chosen to correspond to relatively stable or very stable anhydrides. Such acids include di-, tri-, and tetraalkylsuccinic acids, certain alicyclic diacids, dialkylmaleic acids, and some alkyl-substituted phthalic acids. In all cases, the driving force for formation of a stable anhydride is relief of steric strain in the anhydride as compared to the corresponding diacid. Diisopropylmaleic anhydride was prepared as a new compound Low–melting 2,3-diethyl-2,3-dimethylsuccinic acid was shown to possess the dl-configuration by resolution.

Journal of the American Chemical Society published new progress about Anhydrides Role: PRP (Properties). 82-73-5 belongs to class bromides-buliding-blocks, and the molecular formula is C8H3BrO3, Safety of 4-Bromoisobenzofuran-1,3-dione.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary