CAS 874459-83-3

B-[2-[[(Phenylmethyl)amino]carbonyl]phenyl]boronic acid

Description:

B-[2-[[(Phenylmethyl)amino]carbonyl]phenyl]boronic acid, identified by its CAS number 874459-83-3, 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 features a boronic acid functional group, which is known for its ability to form reversible covalent bonds with diols, making it useful in various applications, including organic synthesis and medicinal chemistry. The presence of the phenylmethylamino and carbonyl groups contributes to its potential as a ligand in coordination chemistry and as a building block in drug development. Additionally, boronic acids are often utilized in the synthesis of complex organic molecules through Suzuki coupling reactions. The compound's solubility, stability, and reactivity can vary depending on the specific conditions, such as pH and solvent, which are critical for its application in chemical reactions. Overall, this compound exemplifies the versatility of boronic acids in both synthetic and biological contexts.

Formula: C₁₄H₁₄BNO₃

InChI: InChI=1S/C14H14BNO3/c17-14(16-10-11-6-2-1-3-7-11)12-8-4-5-9-13(12)15(18)19/h1-9,18-19H,10H2,(H,16,17)

InChI key: InChIKey=IXPSRMJLVYVVFM-UHFFFAOYSA-N

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

Synonyms:

• B-[2-[[(Phenylmethyl)amino]carbonyl]phenyl]boronic acid
• Boronic acid, B-[2-[[(phenylmethyl)amino]carbonyl]phenyl]-
• Boronic acid, [2-[[(phenylmethyl)amino]carbonyl]phenyl]-
• [2-(Benzylcarbamoyl)phenyl]boronic acid