CAS 944805-18-9

4-Bromo-2-[[(1,1-dimethylethoxy)carbonyl]amino]-5-thiazolecarboxylic acid

Description:

4-Bromo-2-[[(1,1-dimethylethoxy)carbonyl]amino]-5-thiazolecarboxylic acid is a chemical compound characterized by its thiazole ring, which is a five-membered heterocyclic structure containing sulfur and nitrogen. The presence of a bromine atom at the 4-position of the thiazole ring contributes to its reactivity and potential applications in medicinal chemistry. The compound features an amino group that is protected by a tert-butoxycarbonyl (Boc) group, which is commonly used in organic synthesis to temporarily mask amines. This protection allows for selective reactions without interfering with the amino functionality. Additionally, the carboxylic acid group at the 5-position enhances the compound's solubility in polar solvents and can participate in various chemical reactions, such as esterification or amidation. Overall, this compound may serve as an important intermediate in the synthesis of pharmaceuticals or agrochemicals, owing to its unique structural features and functional groups that facilitate further chemical transformations.

Formula: C₉H₁₁BrN₂O₄S

InChI: InChI=1S/C9H11BrN2O4S/c1-9(2,3)16-8(15)12-7-11-5(10)4(17-7)6(13)14/h1-3H3,(H,13,14)(H,11,12,15)

InChI key: InChIKey=KEDWRMCTUPBGBZ-UHFFFAOYSA-N

SMILES: C(O)(=O)C=1SC(NC(OC(C)(C)C)=O)=NC1Br

Synonyms:

• 4-Bromo-2-[[(1,1-dimethylethoxy)carbonyl]amino]-5-thiazolecarboxylic acid
• 5-Thiazolecarboxylic acid, 4-bromo-2-[[(1,1-dimethylethoxy)carbonyl]amino]-