Description
4-Bromo-1-butyl-3-(trifluoromethyl)pyrazole (CAS No. 1437794-58-5) is a high-purity, organobromine-substituted pyrazole derivative with the molecular formula C8H10BrF3N2. This compound features a reactive bromine atom at the 4-position and a trifluoromethyl group at the 3-position of the pyrazole ring, making it a versatile intermediate for pharmaceutical, agrochemical, and materials science research. Its butyl chain enhances solubility in organic solvents, facilitating downstream synthetic applications. Ideal for cross-coupling reactions, nucleophilic substitutions, and as a building block for heterocyclic chemistry. Supplied as a clear to pale-yellow liquid with ≥95% purity (GC), stored under inert conditions to ensure stability. Suitable for use in medicinal chemistry, ligand design, and fluorinated compound synthesis.
Properties
- CAS Number: 1437794-58-5
- Complexity: 186
- IUPAC Name: 4-bromo-1-butyl-3-(trifluoromethyl)pyrazole
- InChI: InChI=1S/C8H10BrF3N2/c1-2-3-4-14-5-6(9)7(13-14)8(10,11)12/h5H,2-4H2,1H3
- InChI Key: NNCCJUQHKDUBCU-UHFFFAOYSA-N
- Exact Mass: 269.99795
- Molecular Formula: C8H10BrF3N2
- Molecular Weight: 271.08
- SMILES: CCCCN1C=C(C(=N1)C(F)(F)F)Br
- Topological: 17.8
- Monoisotopic Mass: 269.99795
- Synonyms: 1437794-58-5, 4-BROMO-1-BUTYL-3-(TRIFLUOROMETHYL)PYRAZOLE, 4-Bromo-1-butyl-3-(trifluoromethyl)-1H-pyrazole, MFCD24448781, 1H-Pyrazole, 4-bromo-1-butyl-3-(trifluoromethyl)-, DTXSID601234139, AKOS025287503, DS-9598, SY120910, DB-205626, CS-0152111, N10734
Application
4-Bromo-1-butyl-3-(trifluoromethyl)pyrazole is widely used as a key intermediate in the synthesis of biologically active compounds, particularly in the development of pharmaceuticals and agrochemicals. Its trifluoromethyl group enhances metabolic stability and lipophilicity, making it valuable for drug discovery. The bromine substituent allows for further functionalization via Suzuki, Stille, or other cross-coupling reactions. Researchers also employ this compound in the design of fluorinated ligands for catalysis and materials science applications.
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