(2S,3aS,7aS)-Octahydroindole-2-carboxylic acid, 98%

Description

CAS: 80875-98-5 | C9H15NO2 | 169.224 g/mol

An intermediate in the synthesis of Perindopril. The completely diastereoselective α-alkylation of oxazolidinone provides a very convenient and concise route to enantiopure α-tetrasubstituted derivatives of this Oic stereoisomer.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
An intermediate in the synthesis of Perindopril. The completely diastereoselective α-alkylation of oxazolidinone provides a very convenient and concise route to enantiopure α-tetrasubstituted derivatives of this Oic stereoisomer.

Solubility
Soluble in methanol and water.

Notes
Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Store away from strong oxidizing agents. Store at -20°C.

Specifications

Chemical Identifiers

• CAS: 80875-98-5
• Molecular Formula: C9H15NO2
• Molecular Weight (g/mol): 169.224
• MDL Number: MFCD07782125
• InChI Key: CQYBNXGHMBNGCG-FXQIFTODSA-N
• Synonym: 2s,3as,7as-octahydro-1h-indole-2-carboxylic acid, 2s,3as,7as-octahydroindole-2-carboxylic acid, 2s,3as,7as-2-carboxyoctahydroindole, h-oic-oh, l-octahydroindole-2-carboxylic acid, unii-9id44u804i, 2-carboxyoctahydroindole, 2s,3as,7as, 1h-indole-2-carboxylic acid, octahydro-, 2s,3as,7as, 2s,3as,7as-2-carboxyperhydroindole, 2s,3as,7as-perhydroindole-2-carboxylic acid
• PubChem CID: 7408452
• IUPAC Name: (2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylic acid
• SMILES: C1CCC2C(C1)CC(N2)C(=O)O

• Melting Point: 266°C (decomposition)
• Quantity: 5 g
• Solubility Information: Soluble in methanol and water.
• Optical Rotation: −50 (c=1 in Methanol)
• Formula Weight: 169.22
• Percent Purity: 98%
• Chemical Name or Material: (2S,3aS,7aS)-Octahydroindole-2-carboxylic acid

Safety and Handling

Hazard Category	H315-H319-H335
Hazard Statement	GHS H Statement H315-H319-H335 Causes skin irritation. Causes serious eye irritation. May cause respiratory irritation.
Precautionary Statement	P261-P264b-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P362-P501c
TSCA	No
Recommended Storage	Ambient temperatures

SDS

RUO – Research Use Only