CAS 850864-50-5

Benzoic acid, 3-amino-5-iodo-, ethyl ester

Description:

Benzoic acid, 3-amino-5-iodo-, ethyl ester, with the CAS number 850864-50-5, is an organic compound characterized by the presence of a benzoic acid moiety modified with an amino group and an iodine atom at specific positions on the aromatic ring. This compound features an ethyl ester functional group, which contributes to its solubility and reactivity. The amino group typically imparts basic properties, while the iodine atom can enhance the compound's reactivity in nucleophilic substitution reactions. The presence of both the amino and iodo substituents can influence the compound's biological activity, making it of interest in pharmaceutical and agrochemical research. Additionally, the ester functionality can be hydrolyzed under acidic or basic conditions, releasing the corresponding benzoic acid and ethanol. Overall, this compound's unique structural features suggest potential applications in various chemical syntheses and biological studies.

Formula: C₉H₁₀INO₂

InChI: InChI=1S/C9H10INO2/c1-2-13-9(12)6-3-7(10)5-8(11)4-6/h3-5H,2,11H2,1H3

InChI key: InChIKey=DHYQWOMHWOGUDJ-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C1=CC(I)=CC(N)=C1

Synonyms:

• Ethyl 3-amino-5-iodobenzoate
• Benzoic acid, 3-amino-5-iodo-, ethyl ester