CAS 1305324-53-1

4-Bromo-2-(1,1-dimethylethyl)oxazolo[4,5-c]pyridine-7-carboxylic acid

Description:

4-Bromo-2-(1,1-dimethylethyl)oxazolo[4,5-c]pyridine-7-carboxylic acid is a heterocyclic compound featuring a fused oxazole and pyridine ring system. This compound is characterized by the presence of a bromine atom at the 4-position and a tert-butyl group at the 2-position of the oxazole ring, contributing to its unique chemical properties. The carboxylic acid functional group at the 7-position enhances its acidity and potential for forming hydrogen bonds, which can influence its solubility and reactivity. The presence of the bromine atom may also impart specific electronic effects, making it a useful building block in organic synthesis and medicinal chemistry. This compound is likely to exhibit moderate to high lipophilicity due to the bulky tert-butyl group, which can affect its biological activity and interactions with biological targets. Overall, 4-Bromo-2-(1,1-dimethylethyl)oxazolo[4,5-c]pyridine-7-carboxylic acid is of interest for its potential applications in pharmaceuticals and agrochemicals.

Formula: C₁₁H₁₁BrN₂O₃

InChI: InChI=1S/C11H11BrN2O3/c1-11(2,3)10-14-6-7(17-10)5(9(15)16)4-13-8(6)12/h4H,1-3H3,(H,15,16)

InChI key: InChIKey=FVLPJXWLIMBZRO-UHFFFAOYSA-N

SMILES: C(O)(=O)C1=C2C(N=C(C(C)(C)C)O2)=C(Br)N=C1

Synonyms:

• 4-Bromo-2-(1,1-dimethylethyl)oxazolo[4,5-c]pyridine-7-carboxylic acid
• Oxazolo[4,5-c]pyridine-7-carboxylic acid, 4-bromo-2-(1,1-dimethylethyl)-