Description

4′-Pentyl-4-biphenylboronic Acid (contains varying amounts of Anhydride) is a high-purity boronic acid derivative with the molecular formula C₁₇H₂₁BO₂ and CAS number 121554-18-5. This compound, also known by its IUPAC name [4-(4-pentylphenyl)phenyl]boronic acid, is a valuable intermediate in organic synthesis, particularly in Suzuki-Miyaura cross-coupling reactions for the construction of biphenyl scaffolds. The product may contain varying amounts of anhydride due to its inherent reactivity. It is supplied as a fine white to off-white powder with high chemical stability under recommended storage conditions (2-8°C, inert atmosphere). Suitable for research and industrial applications requiring precise boronic acid functionality. Purity is typically ≥95% by HPLC analysis.

Properties

• CAS Number: 121554-18-5
• Complexity: 254
• IUPAC Name: [4-(4-pentylphenyl)phenyl]boronic acid
• InChI: InChI=1S/C17H21BO2/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18(19)20/h6-13,19-20H,2-5H2,1H3
• InChI Key: QRZCEXCQSFQDMG-UHFFFAOYSA-N
• Exact Mass: 268.1634601
• Molecular Formula: C17H21BO2
• Molecular Weight: 268.2
• SMILES: B(C1=CC=C(C=C1)C2=CC=C(C=C2)CCCCC)(O)O
• Topological: 40.5
• Monoisotopic Mass: 268.1634601
• Synonyms: 4′-Pentyl-4-biphenylboronic Acid (contains varying amounts of Anhydride), 842-164-3, 121554-18-5, (4′-Pentyl[1,1′-biphenyl]-4-yl)boronic acid, (4′-Pentyl-[1,1′-biphenyl]-4-yl)boronic acid, [4-(4-pentylphenyl)phenyl]boronic acid, (4′-Pentyl[1,1′-biphenyl]-4-yl)-boronic acid, 4-(4-Pentylphenyl)benzeneboronic acid, 4′-Pentyl-4-biphenylboronic acid, Boronic acid, B-(4′-pentyl[1,1′-biphenyl]-4-yl)-, {4′-pentyl-[1,1′-biphenyl]-4-yl}boronic acid, (4/’-Pentyl[1,1/’-biphenyl]-4-yl)-boronic acid, Boronic acid, (4′-pentyl[1,1′-biphenyl]-4-yl)-, MFCD07644474, SCHEMBL1791067, DTXSID80572952, 4-(4-pentylphenyl)benzeneboronicacid, AKOS005146023, SB66908, AS-20103, CS-0152315, P2717, O10113

Application

4′-Pentyl-4-biphenylboronic Acid serves as a crucial building block in pharmaceutical research for creating liquid crystal materials and bioactive molecules. It demonstrates excellent reactivity in palladium-catalyzed coupling reactions to form extended π-conjugated systems. Researchers utilize this compound in the development of advanced materials with optoelectronic properties. The pentyl chain enhances solubility in organic solvents while maintaining the boronic acid’s coupling efficiency.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Precautionary Statements

• P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.