CAS 1131587-72-8
:Phenylmethyl 2-amino-5-bromobenzoate
Description:
Phenylmethyl 2-amino-5-bromobenzoate, identified by its CAS number 1131587-72-8, is an organic compound characterized by its aromatic structure and functional groups. It features a phenylmethyl group, which contributes to its hydrophobic properties, and an amino group that can participate in hydrogen bonding, enhancing its solubility in polar solvents. The presence of a bromine atom at the 5-position of the benzoate ring introduces a halogen, which can influence the compound's reactivity and stability. This compound is likely to exhibit moderate to high melting and boiling points due to the presence of strong intermolecular forces, such as dipole-dipole interactions and potential hydrogen bonding. Its chemical behavior may include reactivity typical of amines and esters, making it of interest in various synthetic applications, including pharmaceuticals and agrochemicals. Additionally, the bromine substituent may facilitate electrophilic aromatic substitution reactions, expanding its utility in organic synthesis. Overall, the unique combination of functional groups and structural features makes this compound a subject of interest in chemical research and applications.
Formula:C14H12BrNO2
InChI:InChI=1S/C14H12BrNO2/c15-11-6-7-13(16)12(8-11)14(17)18-9-10-4-2-1-3-5-10/h1-8H,9,16H2
InChI key:InChIKey=XDDGEYLWQYBDCH-UHFFFAOYSA-N
SMILES:C(OCC1=CC=CC=C1)(=O)C2=C(N)C=CC(Br)=C2
Synonyms:- Benzoic acid, 2-amino-5-bromo-, phenylmethyl ester
- Phenylmethyl 2-amino-5-bromobenzoate
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