CAS 1198097-29-8

1,1-Dimethylethyl 3-iodo-5-methyl-1H-pyrrolo[2,3-b]pyridine-1-carboxylate

Description:

1,1-Dimethylethyl 3-iodo-5-methyl-1H-pyrrolo[2,3-b]pyridine-1-carboxylate, identified by its CAS number 1198097-29-8, is a chemical compound that belongs to the class of pyrrolopyridines. This substance features a pyrrolopyridine core, which is characterized by a fused pyrrole and pyridine ring system. The presence of a carboxylate group indicates that it can participate in various chemical reactions, including esterification and nucleophilic substitutions. The iodo substituent enhances its reactivity, making it a potential candidate for further functionalization in synthetic organic chemistry. Additionally, the dimethyl group contributes to steric hindrance, which can influence the compound's reactivity and interaction with biological targets. This compound may have applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to its unique structural features. However, specific physical properties such as melting point, boiling point, and solubility would need to be referenced from experimental data or literature for detailed characterization.

Formula: C₁₃H₁₅IN₂O₂

InChI: InChI=1S/C13H15IN2O2/c1-8-5-9-10(14)7-16(11(9)15-6-8)12(17)18-13(2,3)4/h5-7H,1-4H3

InChI key: InChIKey=PMPAJDNMABXNRB-UHFFFAOYSA-N

SMILES: C(OC(C)(C)C)(=O)N1C=2C(C(I)=C1)=CC(C)=CN2

Synonyms:

• 1H-Pyrrolo[2,3-b]pyridine-1-carboxylic acid, 3-iodo-5-methyl-, 1,1-dimethylethyl ester
• 1,1-Dimethylethyl 3-iodo-5-methyl-1H-pyrrolo[2,3-b]pyridine-1-carboxylate