Description

4-Bromo-2-(2,2,2-trifluoro-1,1-dimethylethyl)pyridine (CAS No. 1357476-67-5) is a high-purity halogenated pyridine derivative with the molecular formula C₉H₉BrF₃N. This compound features a bromine substituent at the 4-position and a trifluoromethyl-substituted tert-butyl group at the 2-position of the pyridine ring, offering unique steric and electronic properties for advanced synthetic applications. Its IUPAC name is 4-bromo-2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine, and it is cataloged under identifiers such as MFCD22393679 and SCHEMBL15801545. Ideal for pharmaceutical intermediates, agrochemical research, and ligand design, this reagent is supplied with comprehensive analytical data (HPLC, GC/MS, NMR) to ensure batch-to-batch consistency. Store under inert conditions at 2-8°C to maintain stability.

Properties

• CAS Number: 1357476-67-5
• Complexity: 203
• IUPAC Name: 4-bromo-2-(2,2,2-trifluoro-1,1-dimethyl-ethyl)pyridine
• InChI: InChI=1S/C9H9BrF3N/c1-8(2,9(11,12)13)7-5-6(10)3-4-14-7/h3-5H,1-2H3
• InChI Key: XAQNICQGPIHIIH-UHFFFAOYSA-N
• Exact Mass: 266.98705
• Molecular Formula: C9H9BrF3N
• Molecular Weight: 268.07
• SMILES: CC(C)(C1=NC=CC(=C1)Br)C(F)(F)F
• Topological: 12.9
• Monoisotopic Mass: 266.98705
• Synonyms: 1357476-67-5, 4-Bromo-2-(2,2,2-trifluoro-1,1-dimethylethyl)pyridine, 4-BROMO-2-(1,1,1-TRIFLUORO-2-METHYLPROPAN-2-YL)PYRIDINE, MFCD22393679, SCHEMBL15801545, 4-bromo-2-(2,2,2-trifluoro-1,1-dimethyl-ethyl)pyridine, DTXSID401216220, AKOS022186385, AC-31962, AS-42311, SY034325, CS-0041566, EN300-7393157

Application

This compound serves as a versatile building block in medicinal chemistry, particularly in the synthesis of trifluoromethyl-containing heterocycles for drug discovery. Its electron-deficient pyridine core and bulky substituent make it valuable for designing kinase inhibitors or PET radiotracer precursors. Researchers also employ it in cross-coupling reactions (e.g., Suzuki-Miyaura) to construct complex fluorinated architectures for material science applications.

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