CAS 1305324-57-5

1-(1,1-Dimethylethyl) 6-methyl 2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-1,6-dicarboxylate

Description:

1-(1,1-Dimethylethyl) 6-methyl 2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-1,6-dicarboxylate, with the CAS number 1305324-57-5, is a chemical compound characterized by its complex bicyclic structure, which includes a pyrrolopyridine framework. This compound features two carboxylate functional groups, contributing to its potential reactivity and solubility in various solvents. The presence of the tert-butyl group (1,1-dimethylethyl) and a methyl group enhances its steric properties, which may influence its biological activity and interactions with other molecules. The dihydro form indicates that it has a saturated ring system, which can affect its stability and reactivity. This compound may be of interest in medicinal chemistry due to its structural features, which could be relevant for drug design or as a potential pharmacophore. However, specific data regarding its physical properties, such as melting point, boiling point, and solubility, would require experimental determination or literature references for comprehensive characterization.

Formula: C₁₄H₁₈N₂O₄

InChI: InChI=1S/C14H18N2O4/c1-14(2,3)20-13(18)16-8-7-9-5-6-10(12(17)19-4)15-11(9)16/h5-6H,7-8H2,1-4H3

InChI key: InChIKey=AYWUZJMFTGOGIZ-UHFFFAOYSA-N

SMILES: C(OC(C)(C)C)(=O)N1C=2C(CC1)=CC=C(C(OC)=O)N2

Synonyms:

• 1H-Pyrrolo[2,3-b]pyridine-1,6-dicarboxylic acid, 2,3-dihydro-, 1-(1,1-dimethylethyl) 6-methyl ester
• 1-(1,1-Dimethylethyl) 6-methyl 2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-1,6-dicarboxylate
• 1-tert-Butyl 6-methyl 2,3-dihydro-1H-pyrrolo-[2,3-b]pyridine-1,6-dicarboxylate