CAS 850350-09-3

Benzoic acid, 5-bromo-2-(phenylmethoxy)-, phenylmethyl ester

Description:

Benzoic acid, 5-bromo-2-(phenylmethoxy)-, phenylmethyl ester, identified by the CAS number 850350-09-3, is an organic compound characterized by its ester functional group, which is formed from benzoic acid and phenylmethanol. This compound features a bromine atom at the 5-position of the benzoic acid ring, contributing to its reactivity and potential applications in organic synthesis. The presence of the phenylmethoxy group enhances its lipophilicity, which may influence its solubility in organic solvents. Typically, compounds like this exhibit moderate to high melting points and are stable under standard conditions, although they may be sensitive to light or moisture. The bromine substituent can also participate in electrophilic aromatic substitution reactions, making this compound useful in various synthetic pathways. Additionally, the ester functionality can undergo hydrolysis under acidic or basic conditions, reverting to the corresponding acid and alcohol. Overall, this compound's unique structure and functional groups make it of interest in medicinal chemistry and materials science.

Formula: C₂₁H₁₇BrO₃

InChI: InChI=1S/C21H17BrO3/c22-18-11-12-20(24-14-16-7-3-1-4-8-16)19(13-18)21(23)25-15-17-9-5-2-6-10-17/h1-13H,14-15H2

InChI key: InChIKey=NXHFWYNZSJELII-UHFFFAOYSA-N

SMILES: C(OCC1=CC=CC=C1)(=O)C2=C(OCC3=CC=CC=C3)C=CC(Br)=C2

Synonyms:

• Phenylmethyl 5-bromo-2-(phenylmethoxy)benzoate
• 2-Benzyloxy-5-bromo-benzoic acid benzyl ester
• Benzyl 2-(benzyloxy)-5-bromobenzoate
• Benzoic acid, 5-bromo-2-(phenylmethoxy)-, phenylmethyl ester