CAS 869947-42-2

α-Ethyl-3-formyl-1H-indole-1-acetic acid

Description:

α-Ethyl-3-formyl-1H-indole-1-acetic acid, with the CAS number 869947-42-2, is a chemical compound that belongs to the indole family, characterized by its unique bicyclic structure. This compound features an indole ring, which is a fused benzene and pyrrole ring, along with a formyl group (-CHO) and an acetic acid moiety (-COOH) attached to the indole structure. The presence of the ethyl group contributes to its hydrophobic characteristics, while the formyl and acetic acid groups introduce polar functional groups that can participate in hydrogen bonding and other intermolecular interactions. This compound may exhibit biological activity, making it of interest in medicinal chemistry and drug development. Its solubility, stability, and reactivity can be influenced by the functional groups present, and it may undergo various chemical reactions typical of indole derivatives, such as electrophilic substitutions or condensation reactions. Overall, α-Ethyl-3-formyl-1H-indole-1-acetic acid represents a versatile structure with potential applications in pharmaceuticals and organic synthesis.

Formula: C₁₃H₁₃NO₃

InChI: InChI=1S/C13H13NO3/c1-2-11(13(16)17)14-7-9(8-15)10-5-3-4-6-12(10)14/h3-8,11H,2H2,1H3,(H,16,17)

InChI key: InChIKey=HXWHURCYMNEHJV-UHFFFAOYSA-N

SMILES: C(C(O)=O)(CC)N1C=2C(C(C=O)=C1)=CC=CC2

Synonyms:

• 1H-Indole-1-acetic acid, α-ethyl-3-formyl-
• α-Ethyl-3-formyl-1H-indole-1-acetic acid