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

Name: (2S,3AS,7aS)-Octahydroindole-2-carboxylic acid
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 80875-98-5
Cat. No. CS-B0794
Purity≥98%
MDL No.MFCD07782125

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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(2S,3AS,7aS)-Octahydroindole-2-carboxylic acid|CS-B0794

Structure of 80875-98-5

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General Information

CAS No. 80875-98-5
Cat. No. CS-B0794
Purity ≥98%
MDL No. MFCD07782125
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₁₅NO₂
Molecular Weight 169.22
Synonym(s) None
SMILES OC([C@H](C[C@@]12[H])N[C@]1(CCCC2)[H])=O

Application

(2S,3aS,7aS)-Octahydroindole-2-carboxylic acid serves as a stereochemically defined heterocyclic building block for medicinal chemistry and natural product synthesis. Its saturated indoline core provides excellent functional group tolerance and bench stability, enabling reliable use in amide coupling, derivatization, and transition-metal-catalyzed transformations. The chiral center at C2 facilitates enantioselective synthesis of bioactive scaffolds, while the carboxylic acid functionality supports direct conjugation or activation for peptide and macrocycle assembly.

Synthesis

Route1
- 539820-41-2
- ~85%
- In-stock
  
  80875-98-5
References
- Dubuffet, Thierry; Langlois, Pascal Patent: US2006/167273 A1, 2006 ; Location in patent: Page/Page column 2 ;
Route2
- In-stock
  
  79815-20-6
- ~89%
- In-stock
  
  80875-98-5
References
- Adir Et Cie Patent: US4914214 A1, 1990 ;
Route3
- 89083-53-4
- ~%
- In-stock
  
  80875-98-5
References
- EP1792896 A1, ; Page/Page column 7; 9 ;

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

TPSA 49.33
LogP 0.9917
H_Acceptors 2
H_Donors 2
Rotatable_Bonds 1

Other Classifications

Bioactive Molecules Dye and Bio-assay Reagents

Catalysts and Ligands Organocatalytic Small Molecules Other Catalytic Small Molecules

Chemical Biology Pharmaceutical Development and Drug Discovery Research Peptide Chemistry Amino Acid Derivatives

Chemical Biology Pharmaceutical Development and Drug Discovery Research Peptide Chemistry Unnatural Amino Acid Derivatives

Chemical Biology Pharmaceutical Development and Drug Discovery Research Reagents Peptide Chemistry Unnatural Amino Acid Derivatives

Biochemistry Biochemicals and Reagents Amino Acids non-Proteinogenic Amino Acids

Catalysis Asymmetric Synthesis Chiral Catalysts, Chiral Ligands, Chiral Reagents Chiral Organocatalysts (Other)

Catalysis Asymmetric Synthesis Chiral Catalysts, Chiral Ligands, Chiral Reagents Proline-Based Organocatalysts

Catalysis Organocatalysts Asymmetric Organocatalysts

Catalysis Oxidation Oxidation Organocatalysts

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

CAS No. 80875-98-5

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