Description

3-(N-Benzylaminocarbonyl)phenylboronic acid (CAS No. 625470-96-4) is a high-purity boronic acid derivative with the molecular formula C₁₄H₁₄BNO₃. This compound, also known as [3-(benzylcarbamoyl)phenyl]boronic acid, is a versatile intermediate in organic synthesis, particularly in Suzuki-Miyaura cross-coupling reactions. Its unique structure, featuring a boronic acid group and a benzylcarbamoyl moiety, makes it valuable for constructing complex molecules in pharmaceutical and materials science research. The product is supplied as a white to off-white crystalline powder with ≥95% purity (HPLC), ensuring optimal performance in sensitive applications. Proper storage under inert conditions (2-8°C, argon) is recommended to maintain stability.

Properties

• CAS Number: 625470-96-4
• Complexity: 292
• IUPAC Name: [3-(benzylcarbamoyl)phenyl]boronic acid
• InChI: InChI=1S/C14H14BNO3/c17-14(16-10-11-5-2-1-3-6-11)12-7-4-8-13(9-12)15(18)19/h1-9,18-19H,10H2,(H,16,17)
• InChI Key: OBCLAQJSSJOSFL-UHFFFAOYSA-N
• Exact Mass: 255.1066735
• Molecular Formula: C14H14BNO3
• Molecular Weight: 255.08
• SMILES: B(C1=CC(=CC=C1)C(=O)NCC2=CC=CC=C2)(O)O
• Topological: 69.6
• Monoisotopic Mass: 255.1066735
• Synonyms: 625470-96-4, 3-(N-BENZYLAMINOCARBONYL)PHENYLBORONIC ACID, (3-(Benzylcarbamoyl)phenyl)boronic acid, 3-[(Benzylamino)carbonyl]phenylboronic acid, 3-(benzylcarbamoyl)phenylboronic acid, [3-(benzylcarbamoyl)phenyl]boronic Acid, N-BENZYL 3-BORONOBENZAMIDE, 3-(Benzylcarbamoyl)benzeneboronic acid, C14H14BNO3, MFCD04115688, [3-(N-Benzylaminocarbonyl)phenyl]boronic acid, SCHEMBL177584, DTXSID80390774, AKOS015839368, (3-(Benzylcarbamoyl)phenyl)boronicacid, AB20402, AS-65696, BP-11438, DB-023631, I12659

Application

This compound serves as a key building block in palladium-catalyzed cross-coupling reactions for biaryl formation. Researchers utilize it in medicinal chemistry for developing kinase inhibitors and other therapeutic agents. The benzylcarbamoyl group enhances solubility in organic solvents, facilitating reactions in non-aqueous systems. It’s particularly useful in creating molecular scaffolds for drug discovery programs.

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