Description

(4′-Butyl-3-fluoro-[1,1′-biphenyl]-4-yl)boronic acid (CAS No. 1400809-84-8) is a high-purity boronic acid derivative with the molecular formula C₁₆H₁₈BFO₂. This compound, also known by its IUPAC name [4-(4-butylphenyl)-2-fluorophenyl]boronic acid, is a valuable building block in organic synthesis and pharmaceutical research. Its unique structure, featuring a fluorinated biphenyl core and a reactive boronic acid group, makes it an essential reagent for Suzuki-Miyaura cross-coupling reactions, enabling the formation of carbon-carbon bonds under mild conditions.

Our product is rigorously tested for quality, with ≥95% purity confirmed by HPLC and NMR spectroscopy. It is supplied as a white to off-white crystalline powder, stable under inert conditions but sensitive to moisture and prolonged air exposure. Proper storage at 2-8°C in a tightly sealed container under nitrogen is recommended to maintain optimal stability.

This boronic acid derivative is particularly useful in medicinal chemistry for the development of novel drug candidates, especially in the synthesis of kinase inhibitors and other biologically active molecules. Researchers will appreciate its consistent performance in palladium-catalyzed reactions and its compatibility with a wide range of functional groups.

Properties

• CAS Number: 1400809-84-8
• Complexity: 280
• IUPAC Name: [4-(4-butylphenyl)-2-fluoro-phenyl]boronic acid
• InChI: InChI=1S/C16H18BFO2/c1-2-3-4-12-5-7-13(8-6-12)14-9-10-15(17(19)20)16(18)11-14/h5-11,19-20H,2-4H2,1H3
• InChI Key: GGVROXPECQCGRD-UHFFFAOYSA-N
• Exact Mass: 272.1383881
• Molecular Formula: C16H18BFO2
• Molecular Weight: 272.1
• SMILES: B(C1=C(C=C(C=C1)C2=CC=C(C=C2)CCCC)F)(O)O
• Topological: 40.5
• Monoisotopic Mass: 272.1383881
• Synonyms: 1400809-84-8, (4′-Butyl-3-fluoro-[1,1′-biphenyl]-4-yl)boronic acid, 4′-Butyl-3-fluorobiphenyl-4-boronic acid, Boronic acid, B-(4′-butyl-3-fluoro[1,1′-biphenyl]-4-yl)-, (3-Fluoro-4′-butyl[1,1′-biphenyl]-4-yl)boronic acid, [4-(4-butylphenyl)-2-fluorophenyl]boronic acid, MFCD10687140, GGVROXPECQCGRD-UHFFFAOYSA-N, AKOS024463408, DS-7801, 4′-Butyl-3-fluoro-biphenyl-4-boronic acid, CS-0152348, (4′-Butyl-3-fluoro-[1,1′-biphenyl]-4-yl)boronicacid

Application

(4′-Butyl-3-fluoro-[1,1′-biphenyl]-4-yl)boronic acid is primarily used as a key intermediate in Suzuki-Miyaura cross-coupling reactions for the synthesis of complex biaryl compounds. Its fluorinated biphenyl structure makes it valuable in pharmaceutical research, particularly in the development of kinase inhibitors and other small molecule therapeutics. The compound’s boronic acid group enables efficient palladium-catalyzed coupling with various aryl halides, making it versatile for constructing diverse molecular architectures. Researchers also utilize this building block in materials science for creating advanced organic electronic materials.

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