CAS 874288-20-7

B-[3-[[[(3-Fluorophenyl)methyl]amino]carbonyl]phenyl]boronic acid

Description:

B-[3-[[[(3-Fluorophenyl)methyl]amino]carbonyl]phenyl]boronic acid, identified by its CAS number 874288-20-7, is a boronic acid derivative characterized by the presence of a boron atom bonded to a phenyl group and an amino acid moiety. This compound typically exhibits properties associated with boronic acids, such as the ability to form reversible covalent bonds with diols, which is significant in various biochemical applications, including drug design and molecular recognition. The presence of the fluorophenyl group may enhance its lipophilicity and biological activity, making it a candidate for pharmaceutical research. Additionally, the amino and carbonyl functional groups contribute to its reactivity and potential interactions in biological systems. Overall, this compound is of interest in medicinal chemistry and materials science due to its unique structural features and functional properties.

Formula: C₁₄H₁₃BFNO₃

InChI: InChI=1S/C14H13BFNO3/c16-13-6-1-3-10(7-13)9-17-14(18)11-4-2-5-12(8-11)15(19)20/h1-8,19-20H,9H2,(H,17,18)

InChI key: InChIKey=IRCQICKMZNJXCS-UHFFFAOYSA-N

SMILES: C(NCC1=CC(F)=CC=C1)(=O)C2=CC(B(O)O)=CC=C2

Synonyms:

• Boronic acid, B-[3-[[[(3-fluorophenyl)methyl]amino]carbonyl]phenyl]-
• B-[3-[[[(3-Fluorophenyl)methyl]amino]carbonyl]phenyl]boronic acid
• Boronic acid, [3-[[[(3-fluorophenyl)methyl]amino]carbonyl]phenyl]-