Description

Methyl 3-bromo-2-fluoropropanoate (CAS No. 399-86-0) is a high-purity fluorinated ester compound with the molecular formula C₄H₆BrFO₂. This specialized chemical is widely utilized in organic synthesis, pharmaceutical research, and material science due to its reactive bromo and fluoro functional groups. It is supplied as a clear to pale-yellow liquid with a characteristic ester odor, packaged under inert conditions to ensure stability. Ideal for nucleophilic substitution reactions, cross-coupling reactions, and as a building block for complex fluorinated molecules. Each batch undergoes rigorous QC testing (GC, NMR) to guarantee ≥95% purity, making it suitable for demanding laboratory and industrial applications. Store in a cool, dry place away from light and moisture.

Properties

• CAS Number: 399-86-0
• Complexity: 86.1
• IUPAC Name: methyl 3-bromo-2-fluoro-propanoate
• InChI: InChI=1S/C4H6BrFO2/c1-8-4(7)3(6)2-5/h3H,2H2,1H3
• InChI Key: WIFAHUKDQMPGKX-UHFFFAOYSA-N
• Exact Mass: 183.95352
• Molecular Formula: C4H6BrFO2
• Molecular Weight: 184.99
• SMILES: COC(=O)C(CBr)F
• Topological: 26.3
• Monoisotopic Mass: 183.95352
• Synonyms: methyl 3-bromo-2-fluoropropanoate, 399-86-0, Propanoic acid, 3-bromo-2-fluoro-, methyl ester, DTXSID80399747

Application

Methyl 3-bromo-2-fluoropropanoate serves as a versatile intermediate in the synthesis of fluorinated pharmaceuticals and agrochemicals. Its reactive bromo and fluoro groups enable efficient participation in Suzuki-Miyaura and other palladium-catalyzed cross-coupling reactions. Researchers also employ it to introduce fluorinated propanoate motifs into polymers and specialty materials for enhanced chemical resistance.

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