• 1. Essential effect of the electrolyte on the mechanical and chemical degradation of LiNi0.8Co0.15Al0.05O2 cathodes upon long-term cycling??
  Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
• 2. Evolutionary de novo design of phenothiazine derivatives for dye-sensitized solar cells?
  Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
• 3. Dissociative electron attachment to HGaF4 Lewis–Br?nsted superacid
  Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
• 4. Evolution and characterization of a benzylguanine-binding RNA aptamer?
  J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
• 5. Excimer and exciplex formation in a pair of bright phosphorescent isomers constructed from Cu3(pyrazolate)3 and Cu3I3 coordination luminophores?
  Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459

Recent Advances in the Application of Methyl 3-Bromo-2-(trifluoromethyl)benzoate (CAS: 1214323-47-3) in Chemical Biology and Pharmaceutical Research

Methyl 3-bromo-2-(trifluoromethyl)benzoate (CAS: 1214323-47-3) has emerged as a key building block in medicinal chemistry and drug discovery due to its unique structural features. This trifluoromethyl- and bromo-substituted benzoate derivative has gained significant attention in recent years for its versatile applications in the synthesis of biologically active compounds. The presence of both electron-withdrawing groups (bromo and trifluoromethyl) and the ester functionality makes this compound particularly valuable for further derivatization through cross-coupling reactions and nucleophilic substitutions.

Recent studies have demonstrated the utility of 1214323-47-3 in the synthesis of potential pharmaceutical agents. A 2023 publication in the Journal of Medicinal Chemistry reported its use as a precursor in the development of novel non-steroidal anti-inflammatory drugs (NSAIDs) with improved selectivity for COX-2 inhibition. The trifluoromethyl group was found to significantly enhance metabolic stability while maintaining favorable pharmacokinetic properties. The bromo substituent at the 3-position allowed for efficient Suzuki-Miyaura cross-coupling reactions with various boronic acids, enabling rapid generation of diverse compound libraries.

In the field of agrochemical research, methyl 3-bromo-2-(trifluoromethyl)benzoate has shown promise as an intermediate for novel fungicides. A recent patent application (WO2023052345) disclosed its transformation into potent succinate dehydrogenase inhibitors through a series of palladium-catalyzed coupling reactions. The resulting compounds exhibited exceptional activity against a broad spectrum of plant pathogens while maintaining low mammalian toxicity, highlighting the compound's potential in sustainable agriculture applications.

The synthetic accessibility of 1214323-47-3 has been significantly improved through recent methodological advances. A 2024 study in Organic Process Research & Development described an optimized large-scale preparation route starting from commercially available 2-(trifluoromethyl)benzoic acid. The new protocol features improved atom economy (82% vs previous 65%) and reduced environmental impact through the use of water as the primary solvent in the bromination step. This development has important implications for cost-effective production of this valuable intermediate.

Emerging applications in radiopharmaceuticals have also been reported. Researchers at the University of California recently utilized 1214323-47-3 as a precursor for ¹⁸F-labeled PET tracers (Journal of Nuclear Medicine, 2024). The bromo substituent served as an excellent leaving group for nucleophilic aromatic substitution with [¹⁸F]fluoride, enabling efficient radiosynthesis of potential diagnostic agents for neurological disorders. The trifluoromethyl group contributed to enhanced blood-brain barrier penetration, a critical factor for CNS-targeting pharmaceuticals.

From a mechanistic perspective, computational studies have provided new insights into the reactivity patterns of methyl 3-bromo-2-(trifluoromethyl)benzoate. Density functional theory (DFT) calculations published in The Journal of Organic Chemistry (2023) revealed that the trifluoromethyl group significantly alters the electron density distribution in the aromatic ring, facilitating oxidative addition in palladium-catalyzed reactions while simultaneously deactivating certain nucleophilic aromatic substitution pathways. These findings are guiding more efficient synthetic strategies for derivatives of this important building block.

Looking forward, methyl 3-bromo-2-(trifluoromethyl)benzoate continues to attract attention as a versatile intermediate in drug discovery. Several clinical candidates currently in Phase I/II trials incorporate structural motifs derived from this compound, particularly in the areas of kinase inhibitors and GPCR modulators. Its unique combination of substituents offers opportunities for further exploration in fragment-based drug design and the development of covalent inhibitors. Ongoing research is expected to uncover additional applications of this valuable chemical entity in the coming years.

• 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
• 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
• 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
• 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
• 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
• 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
• 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
• 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
• 1449132-38-0(3-Fluoro-5-(2-fluoro-5-methylbenzylcarbamoyl)benzeneboronic acid)
• 2034271-14-0(2-(1H-indol-3-yl)-N-{[6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}acetamide)