CAS 1094713-90-2

Methyl 2-(aminosulfonyl)-3,5-dibromobenzoate

Description:

Methyl 2-(aminosulfonyl)-3,5-dibromobenzoate is a chemical compound characterized by its complex structure, which includes a benzoate moiety substituted with two bromine atoms and an aminosulfonyl group. This compound typically exhibits properties associated with both aromatic and sulfonamide functionalities, which can influence its reactivity and solubility. The presence of bromine atoms suggests potential for electrophilic substitution reactions, while the aminosulfonyl group may impart polar characteristics, enhancing solubility in polar solvents. Methyl 2-(aminosulfonyl)-3,5-dibromobenzoate may also exhibit biological activity, making it of interest in pharmaceutical research. Its molecular structure allows for various interactions, including hydrogen bonding and dipole-dipole interactions, which can affect its behavior in different chemical environments. As with many brominated compounds, it is essential to consider environmental and safety aspects, particularly regarding its persistence and potential toxicity. Overall, this compound represents a unique combination of functional groups that can be explored for various applications in organic synthesis and medicinal chemistry.

Formula: C₈H₇Br₂NO₄S

InChI: InChI=1S/C8H7Br2NO4S/c1-15-8(12)5-2-4(9)3-6(10)7(5)16(11,13)14/h2-3H,1H3,(H2,11,13,14)

InChI key: InChIKey=KVNMHYORAZUVJT-UHFFFAOYSA-N

SMILES: C(OC)(=O)C1=C(S(N)(=O)=O)C(Br)=CC(Br)=C1

Synonyms:

• Benzoic acid, 2-(aminosulfonyl)-3,5-dibromo-, methyl ester
• Methyl 2-(aminosulfonyl)-3,5-dibromobenzoate