CAS 1217885-77-2

Methyl 3-[[(dimethylamino)methylene]amino]-1H-indole-2-carboxylate

Description:

Methyl 3-[[(dimethylamino)methylene]amino]-1H-indole-2-carboxylate, identified by its CAS number 1217885-77-2, is a chemical compound that features an indole core, which is a bicyclic structure composed of a benzene ring fused to a pyrrole ring. This compound contains a methyl ester functional group, contributing to its solubility and reactivity. The presence of a dimethylamino group indicates potential basicity and the ability to participate in various chemical reactions, such as nucleophilic substitutions. The methylene bridge connecting the dimethylamino group to the indole structure suggests that it may exhibit unique electronic properties, potentially influencing its biological activity. Methyl esters are often used in medicinal chemistry due to their ability to be hydrolyzed to corresponding acids, which can enhance bioavailability. Overall, this compound may be of interest in pharmaceutical research, particularly in the development of new therapeutic agents, owing to its structural features that could interact with biological targets.

Formula: C₁₃H₁₅N₃O₂

InChI: InChI=1S/C13H15N3O2/c1-16(2)8-14-11-9-6-4-5-7-10(9)15-12(11)13(17)18-3/h4-8,15H,1-3H3

InChI key: InChIKey=CDIZQFATVIVHGF-UHFFFAOYSA-N

SMILES: N(=CN(C)C)C=1C=2C(NC1C(OC)=O)=CC=CC2

Synonyms:

• Methyl 3-[[(dimethylamino)methylene]amino]-1H-indole-2-carboxylate
• 1H-Indole-2-carboxylic acid, 3-[[(dimethylamino)methylene]amino]-, methyl ester