CAS 87679-58-1

1H-Indole-2-carboxylicacid, octahydro-, (2R,3aS,7aR)-rel-

Description:

1H-Indole-2-carboxylic acid, octahydro-, (2R,3aS,7aR)-rel- is a chemical compound characterized by its indole structure, which is a bicyclic compound consisting of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring. This specific compound features a carboxylic acid functional group at the 2-position of the indole, contributing to its acidity and potential reactivity. The octahydro designation indicates that the compound has undergone hydrogenation, resulting in a saturated structure, which affects its physical properties and reactivity. The stereochemistry, denoted by (2R,3aS,7aR)-rel-, indicates specific spatial arrangements of atoms, which can influence the compound's biological activity and interactions. Such compounds are often of interest in medicinal chemistry due to their potential pharmacological properties, including anti-inflammatory and antimicrobial activities. Overall, this compound exemplifies the complexity and diversity of indole derivatives in organic chemistry and their relevance in various scientific fields.

Formula: C₉H₁₅NO₂

InChI: InChI=1S/C9H15NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h6-8,10H,1-5H2,(H,11,12)/t6-,7+,8+/m1/s1

InChI key: CQYBNXGHMBNGCG-CSMHCCOUSA-N

SMILES: C1CC[C@H]2[C@H](C1)C[C@H](N2)C(=O)O

Synonyms:

• 1H-Indole-2-carboxylicacid, octahydro-, (2a,3aa,7ab)-
• rel-(2S,3AR,7aS)-hexahydroindoline-2-carboxylicacid

rel-(2S,3aR,7aS)-Octahydroindole-2-carboxylic Acid

Controlled Product

CAS: 87679-58-1

Applications Trandolapril intermediate.
References Vincent, M., et al.: Drug Design Disc., 9, 11 (1992)

Formula: C₉H₁₅NO₂

Color and Shape: Neat

Molecular weight: 169.22

Ref: TR-O236901