Category: 401-78-5

Huang, Shuaishuai; Nie, Yixue; Yang, Jingjing; Zheng, Zhanjiang; Cao, Jian; Xu, Zheng; Xu, Liwen published the artcile< Copper-catalyzed arylated etherification of 2,2-difluoroethanol and its mechanistic study>, Electric Literature of 401-78-5, the main research area is haloarene difluoroethanol copper catalyst Ullmann type arylated etherification; difluoroethoxy arene preparation.

A mild and efficient method for the preparation of difluoroethyl aryl ethers was developed by the copper-catalyzed Ullmann-type arylated etherification reaction of aryl bromides or iodides with 2,2-difluoroethanol. This reaction proceeded smoothly in the presence of CuI and 8-hydroxyquinoline/t-BuOK and has a broad substrate scope. ESI-MS anal. supported the existence of LCu(III)Ar(OR) species during this catalytic reaction. Further d. functional theory (DFT) calculations suggested a proposed mechanism of arylated etherification reaction involving oxidative addition, followed by nucleophile substitution and reductive elimination would be rational.

Youji Huaxue published new progress about Alkyl aryl ethers Role: SPN (Synthetic Preparation), PREP (Preparation). 401-78-5 belongs to class bromides-buliding-blocks, and the molecular formula is C7H4BrF3, Electric Literature of 401-78-5.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Filian, Hossein; Ghorbani-Choghamarani, Arash; Tahanpesar, Elham published the artcile< Ni-guanidine@MCM-41 NPs: a new catalyst for the synthesis of 4,4'-(arylmethylene)-bis-(3-methyl-1-phenyl-1H-pyrazol-5-ols) and symmetric di-aryl sulfides>, HPLC of Formula: 401-78-5, the main research area is diaryl sulfide nickel guanidine nanoparticle catalyst.

In this work, the surface of mesoporous MCM-41 was modified with guanidine, and then, Nickel particles have become immobilized on its surface (Ni-guanidine@MCM-41NPs). This heterogeneous catalyst has been identified by various techniques including: low-angle X-ray diffraction, SEM, energy-dispersive X-ray spectroscopy, inductively coupled plasma, thermal gravimetric anal. and N2 adsorption-desorption measurement isotherms, and its catalytic application was studied in the synthesis of 4,4′-(arylmethylene)-bis-(3-methyl-1-phenyl-1H-pyrazol-5-ol) derivatives and sym. di-aryl sulfides. The prepared organometallic complex could be isolated, post-reaction, by simple filtration for several consecutive cycles without a notable change in its catalytic activity.

Journal of the Iranian Chemical Society published new progress about Adsorption. 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

Naeim, Mahtab; Naghipour, Ali; Fakhri, Akram; Sayadi, Mohsen published the artcile< Palladium nanoparticles stabilized on the amino acids-functionalized Fe3O4 as the magnetically recoverable nanocatalysts for Heck and Suzuki reactions>, Application In Synthesis of 401-78-5, the main research area is palladium iron oxide nanocatalyst magnetization Heck Suzuki reaction.

Regarding the green chem. goals, well-organized processes for catalyst separation and reuse have drawn much attention in the past few decades. The strategy of magnetic separation offers a convenient approach for recycling catalysts by applying an appropriate magnetic field. In this paper, a palladium nanoparticle-based Catalyst that is stabilized on the glutathione and aspartic acid-functionalized superparamagnetic Fe3O4 nanoparticles has been prepared by an eco-friendly, economical and effective procedure. The catalytic performance of these novels, highly active and recoverable catalysts was investigated under low loading of the supported palladium nanoparticles for Heck and Suzuki reactions. Under optimal reaction conditions, the nanocomposites afford the corresponding products in excellent yield. The catalysts could be easily separated from the reaction system and efficiently recycled for four consecutive runs without a remarkable loss of their activity. The structural and magnetic properties of the catalysts were identified by Fourier transform IR (FT-IR), Powder X-ray diffraction (XRD), SEM (SEM), vibration sample magnetometer (VSM), inductively coupled plasma at. emission anal. (ICP-AES) and thermogravimetric anal. (TGA).

Inorganica Chimica Acta published new progress about Heck reaction. 401-78-5 belongs to class bromides-buliding-blocks, and the molecular formula is C7H4BrF3, Application In Synthesis of 401-78-5.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Karaboga, Husna; Huang, Wentao; Srivastava, Shivangi; Widmann, Scott; Addanki, Sridevi; Gamage, Kasuni Thawalama; Mazhar, Zahra; Ebalunode, Jerry O.; Briggs, James M.; Gustafsson, Jan-Ake; Filgueira, Carly S.; Gilbertson, Scott R.; Lin, Chin-Yo published the artcile< Screening of Focused Compound Library Targeting Liver X Receptors in Pancreatic Cancer Identified Ligands with Inverse Agonist and Degrader Activity>, Category: bromides-buliding-blocks, the main research area is library screening liver X receptor agonist preparation pancreatic cancer.

Pancreatic ductal adenocarcinoma (PDAC) is the predominant form of pancreatic cancer. PDACs harbor oncogenic mutations in the KRAS gene, and ongoing efforts to directly target its mutant protein product to inhibit tumor growth are a priority not only in pancreatic cancer but in other malignancies such as lung and colorectal cancers where KRAS is also commonly mutated. An alternative strategy to directly targeting KRAS is to identify and target druggable receptors involved in dysregulated cancer hallmarks downstream of KRAS dysregulation. Liver X receptors (LXRs) are members of the nuclear receptor family of ligand-modulated transcription factors and are involved in the regulation of genes which function in key cancer-related processes, including cholesterol transport, lipid and glucose metabolism, and inflammatory and immune responses. Modulation of LXRs via small mol. ligands has emerged as a promising approach for directly targeting tumor cells or the stromal and immune cells within the tumor microenvironment. We have previously shown that only one of the two LXR subtypes (LXRβ) is expressed in pancreatic cancer cells, and targeting LXR with available synthetic ligands blocked the proliferation of PDAC cells and tumor formation. In a screen of a focused library of drug-like small mols. predicted to dock in the ligand-binding pocket of LXRβ, we identified two novel LXR ligands with more potent antitumor activity than current LXR agonists used in our published studies. Characterization of the two lead compounds (GAC0001E5 and GAC0003A4) indicates that they function as LXR inverse agonists which inhibit their transcriptional activity. Prolonged treatments with novel ligands further revealed their function as LXR “”degraders”” which significantly reduced LXR protein levels in all three PDAC cell lines tested. These findings support the utility of these novel inhibitors in basic research on ligand design, allosteric mechanisms, and LXR functions and their potential application as treatments for advanced pancreatic cancer and other recalcitrant malignancies.

ACS Chemical Biology published new progress about Allosterism. 401-78-5 belongs to class bromides-buliding-blocks, and the molecular formula is C7H4BrF3, Category: bromides-buliding-blocks.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Genov, Georgi R.; Douthwaite, James L.; Lahdenpera, Antti S. K.; Gibson, David C.; Phipps, Robert J. published the artcile< Enantioselective remote C-H activation directed by a chiral cation>, Safety of 3-Bromobenzotrifluoride, the main research area is benzhydrylamide phoshinamide enantioselective borylation remote bond activation chiral cation.

Chiral cations have been used extensively as organocatalysts, but their application to rendering transition metal-catalyzed processes enantioselective remains rare. This is despite the success of the analogous charge-inverted strategy in which cationic metal complexes are paired with chiral anions. We report here a strategy to render a common bipyridine ligand anionic and pair its iridium complexes with a chiral cation derived from quinine. We have applied these ion-paired complexes to long-range asym. induction in the desymmetrization of the geminal diaryl motif, located on a carbon or phosphorus center, by enantioselective C-H borylation. In principle, numerous common classes of ligand could likewise be amenable to this approach.

Science (Washington, DC, United States) published new progress about Absolute configuration. 401-78-5 belongs to class bromides-buliding-blocks, and the molecular formula is C7H4BrF3, Safety of 3-Bromobenzotrifluoride.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Du, Yufeng; Huang, Linyu; Wang, Neng; Li, Xiaohuan; Zhou, Xian-Li; Zhang, Lan; Huang, Shuai; Walsh, Patrick J.; Gao, Feng published the artcile< Rhodium-Catalyzed Direct Arylation of Furopyridine: Synthesis and the Cardiac Effects of Dictamnine Derivatives>, SDS of cas: 401-78-5, the main research area is aryl furopyridine preparation chemoselective; furopyridine aryl bromide arylation rhodium catalyst; furoquinoline preparation chemoselective; dictamnine aryl bromide arylation rhodium catalyst.

Synthesis of Rh2(OAc)4/IMes·HCl system promotes the chemoselective installation of aryl groups at the 2-position of furo[2,3-b]pyridines I (R = Ph, naphthalen-1-yl, 2,3-dihydro-1,4-benzodioxin-6-yl, etc.) (53-94% yields). The method is applicable to the direct modification of the natural furoquinoline alkaloid dictamnine. The cardiac effects of the fluorinated analogs II were improved, and compared to dictamnine at 160μg/mL. Preliminary mechanism of action studies indicate that the effects might be related to epinephrine αreceptors, M-receptor and calcium channel receptor.

Advanced Synthesis & Catalysis 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, SDS of cas: 401-78-5.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Nakamura, Shinji; Kamaura, Masahiro; Akao, Yuichiro; Nakamura, Natsuko; Mizukami, Atsushi; Goto, Akihiko; Furuyama, Naoki; Cho, Nobuo; Kasai, Shizuo published the artcile< Discovery of phenylpyrrolidine derivatives as a novel class of retinol binding protein 4 (RBP4) reducers>, Recommanded Product: 3-Bromobenzotrifluoride, the main research area is trifluoromethyl phenyl oxazolyl propanoic acid preparation RBP4 reducer SAR; pyrrolidinyloxy acetic acid trifluoromethyl phenyl preparation RBP4 reducer SAR; Age-related macular degeneration (AMD); Diabetes; Protein–protein interaction (PPI); Retinol-binding protein 4 (RBP4); Transthyretin (TTR).

Retinol-binding protein 4 (RBP4) is a potential drug target for metabolic and ophthalmol. diseases. A high-throughput screening of compound library has identified a small-mol. RBP4 reducer compound I, as a hit compound Aiming to provide a suitable tool for investigating the pharmacol. effects of RBP4 reducers, we conducted a structure-activity relationship study of compound I. Exploration of the aryl head, oxazole core, and propanoic acid tail of compound I resulted in the discovery of novel, potent, and orally available phenylpyrrolidine derivatives ({(3S)-1-[3,5-bis(trifluoromethyl)phenyl]pyrrolidin-3-yl}oxy)acetic acid and ({(3R)-1-[3,5-bis(trifluoromethyl)phenyl]pyrrolidin-3-yl}oxy)acetic acid. Compound ({(3S)-1-[3,5-bis(trifluoromethyl)phenyl]pyrrolidin-3-yl}oxy)acetic acid had a potent and long-lasting blood RBP4-level-reducing effect when orally administered to mice at a dose as low as 0.3 mg/kg.

Bioorganic & Medicinal Chemistry published new progress about Animal gene Role: BSU (Biological Study, Unclassified), BIOL (Biological Study) (Human RBP4 Gene). 401-78-5 belongs to class bromides-buliding-blocks, and the molecular formula is C7H4BrF3, Recommanded Product: 3-Bromobenzotrifluoride.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Wu, Ting-Feng; Zhang, Yue-Jiao; Fu, Yue; Liu, Fang-Jie; Tang, Jian-Tao; Liu, Peng; Toste, F. Dean; Ye, Baihua published the artcile< Zirconium-redox-shuttled cross-electrophile coupling of aromatic and heteroaromatic halides>, Synthetic Route of 401-78-5, the main research area is biaryl preparation; aryl halide cross coupling zirconium redox catalyst.

Herein, a homogeneous XEC method, which relied on a zirconaaziridine complex as a shuttle for dual palladium-catalyzed processes was reported. The zirconaaziridine-mediated palladium (ZAPd)-catalyzed reaction showed excellent compatibility with various functional groups and diverse heteroaromatic scaffolds. In accord with d. functional theory (DFT) calculations, a redox transmetallation between the oxidative addition product and the zirconaaziridine was proposed as the crucial elementary step. Thus, cross-coupling selectivity using a single transition metal catalyst was controlled by the relative rate of oxidative addition of Pd(0) into the aromatic halide. Overall, the concept of a combined reducing and transmetallating agent offered opportunities for the development of transition metal reductive coupling catalysis.

Chem published new progress about Aryl halides Role: RCT (Reactant), RACT (Reactant or Reagent). 401-78-5 belongs to class bromides-buliding-blocks, and the molecular formula is C7H4BrF3, Synthetic Route of 401-78-5.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Furuta, Shohei; Mori, Toshiaki; Yoshigoe, Yusuke; Sekine, Kohei; Kuninobu, Yoichiro published the artcile< Synthesis, structures and photophysical properties of hexacoordinated organosilicon compounds with 2-(2-pyridyl)phenyl groups>, SDS of cas: 401-78-5, the main research area is optimized geometry hexacoordinated pyridylaryl silicon fluoride compound DFT; crystal structure hexacoordinated pyridylaryl silicon fluoride compound; mol structure hexacoordinated pyridylaryl silicon fluoride compound; bromoarylpyridine preparation cyclization silicon chloride.

The authors synthesized novel hexacoordinated organosilicon compounds with two 2-(2-pyridyl)phenyl groups. Single-crystal x-ray structure analyses indicated that Lewis acid-base interactions exist between the Si atom and two N atoms of the pyridine rings, and that hexacoordinated organosilicon compounds have slightly distorted octahedral structures in the solid state. The hexacoordinated organosilicon compounds are stable in air, H2O, heat, acids, and bases. The fluorescent quantum yield increased dramatically and a significant red shift of the maximum fluorescence wavelength was observed with the introduction of amino groups on the 2-(2-pyridyl)phenyl aromatic rings. The fluorescence colors of a hexacoordinated organosilicon compound with two amino groups can be switched by protonation and deprotonation (neutralization) of the amino groups.

Organic & Biomolecular Chemistry published new progress about Crystal structure. 401-78-5 belongs to class bromides-buliding-blocks, and the molecular formula is C7H4BrF3, SDS of cas: 401-78-5.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Choi, Anthony; Meijer, Anthony J. H. M.; Silvestri, Ilaria Proietti; Coldham, Iain published the artcile< Kinetic Resolution of 2-Aryl-4-methylenepiperidines toward Enantioenriched Functionalizable Piperidine Fragments>, Recommanded Product: 3-Bromobenzotrifluoride, the main research area is disubstituted piperidine preparation enantioselective; aryl methylenepiperidine kinetic resolution deprotonation.

The base n-BuLi with sparteine allows a kinetic resolution of N-Boc-2-aryl-4-methylenepiperidines. The 2,2-disubstituted products and recovered starting materials were isolated with high enantiomer ratios. From VT-NMR spectroscopy and DFT studies, the rate of rotation of the N-Boc group is fast. Lithiation and trapping of the enantioenriched starting materials gave 2,2-disubstituted piperidines with retention of stereochem. Functionalization of the 4-methylene group led to a variety of 2,4-disubstituted piperidines without loss of enantiopurity that could be useful building blocks for drug discovery.

Journal of Organic Chemistry published new progress about Deprotonation. 401-78-5 belongs to class bromides-buliding-blocks, and the molecular formula is C7H4BrF3, Recommanded Product: 3-Bromobenzotrifluoride.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary