CAS 1312693-67-6

1,1-Dimethylethyl 4,6-dichloro-7-fluoro-1,3-dihydro-3-oxo-2H-pyrrolo[3,4-c]pyridine-2-carboxylate

Description:

1,1-Dimethylethyl 4,6-dichloro-7-fluoro-1,3-dihydro-3-oxo-2H-pyrrolo[3,4-c]pyridine-2-carboxylate, identified by its CAS number 1312693-67-6, is a synthetic organic compound characterized by its complex heterocyclic structure. This compound features a pyrrolopyridine core, which is notable for its potential biological activity, particularly in medicinal chemistry. The presence of multiple halogen substituents, specifically dichloro and fluoro groups, suggests enhanced reactivity and potential for specific interactions with biological targets. The dimethyl group contributes to steric hindrance, which may influence the compound's pharmacokinetics and binding affinity. As a carboxylate ester, it may exhibit properties typical of esters, such as volatility and solubility in organic solvents. The compound's unique structure and functional groups may render it of interest in drug development, particularly in the search for new therapeutic agents. However, detailed studies on its biological activity, toxicity, and environmental impact would be necessary to fully understand its potential applications and safety profile.

Formula: C₁₂H₁₁Cl₂FN₂O₃

InChI: InChI=1S/C12H11Cl2FN2O3/c1-12(2,3)20-11(19)17-4-5-6(10(17)18)8(13)16-9(14)7(5)15/h4H2,1-3H3

InChI key: InChIKey=HABPUQRAKKBZJJ-UHFFFAOYSA-N

SMILES: FC1=C2C(C(=O)N(C(OC(C)(C)C)=O)C2)=C(Cl)N=C1Cl

Synonyms:

• 4,6-Dichloro-7-fluoro-3-oxo-1H-pyrrolo[3,4-c]pyridine-2(3H)-carboxylic acid tert-butyl ester
• 1,1-Dimethylethyl 4,6-dichloro-7-fluoro-1,3-dihydro-3-oxo-2H-pyrrolo[3,4-c]pyridine-2-carboxylate
• tert-Butyl 4,6-dichloro-7-fluoro-3-oxo-1H-pyrrolo[3,4-c]pyridine-2(3H)-carboxylate
• 2H-Pyrrolo[3,4-c]pyridine-2-carboxylic acid, 4,6-dichloro-7-fluoro-1,3-dihydro-3-oxo-, 1,1-dimethylethyl ester