CAS 932702-07-3

tert-Butyl 6-bromobenzo[d]isothiazole-3-carboxylate

Description:

Tert-Butyl 6-bromobenzo[d]isothiazole-3-carboxylate is a chemical compound characterized by its unique structure, which includes a benzo[d]isothiazole core substituted with a bromine atom and a tert-butyl ester group. This compound typically exhibits properties associated with both aromatic and heterocyclic compounds, including potential biological activity due to the presence of the isothiazole moiety. The tert-butyl group enhances its lipophilicity, which may influence its solubility and permeability in biological systems. Additionally, the bromine substitution can impart specific reactivity and stability characteristics, making it a useful intermediate in organic synthesis and medicinal chemistry. The compound may also exhibit fluorescence properties, which can be advantageous in various analytical applications. Overall, tert-Butyl 6-bromobenzo[d]isothiazole-3-carboxylate is of interest in research fields such as drug development and materials science due to its diverse chemical properties and potential applications.

Formula: C₁₂H₁₂BrNO₂S

InChI: InChI=1/C12H12BrNO2S/c1-12(2,3)16-11(15)10-8-5-4-7(13)6-9(8)17-14-10/h4-6H,1-3H3

InChI key: InChIKey=ULLIEAKUNMXLAM-UHFFFAOYSA-N

SMILES: C(OC(C)(C)C)(=O)C=1C=2C(SN1)=CC(Br)=CC2

Synonyms:

• 1,1-Dimethylethyl 6-bromo-1,2-benzisothiazole-3-carboxylate
• 1,2-Benzisothiazole-3-carboxylic acid, 6-bromo-, 1,1-dimethylethyl ester
• 6-Bromo-1,2-benzisothiazole-3-carboxylic acid 1,1-dimethylethyl ester