Description

2-Azabicyclo[2.1.1]Hexane-2-Carboxylic Acid, 5-Amino-, 1,1-Dimethylethyl Ester, (1R,4R,5S)- is a high-purity, stereochemically defined bicyclic amino acid derivative that serves as a critical advanced pharmaceutical intermediate (API intermediate). Its unique, rigid scaffold is engineered to impart specific conformational properties to drug molecules, making it a key building block in modern medicinal chemistry. This compound is primarily utilized by research and development teams in the pharmaceutical and biotechnology sectors for the synthesis of novel therapeutic agents, particularly in areas requiring precise molecular geometry.

Application

• Pharmaceutical Intermediate: A key chiral synthon in the research and development of new Active Pharmaceutical Ingredients (APIs), especially for central nervous system (CNS) and antiviral drugs.
• Peptidomimetics & Constrained Peptides: Used to introduce conformational rigidity into peptide backbones, enhancing metabolic stability and target selectivity.
• Medicinal Chemistry & Drug Discovery: Serves as a versatile scaffold for constructing focused libraries in structure-activity relationship (SAR) studies and hit-to-lead optimization.
• Protease Inhibitor Development: Its bicyclic structure mimics transition states, making it valuable in designing inhibitors for various proteolytic enzymes.
• Chemical Biology Probes: Employed in the synthesis of molecular probes to study enzyme function and protein-protein interactions.
• Asymmetric Synthesis: Acts as a chiral auxiliary or starting material for the asymmetric synthesis of complex, biologically active molecules.

Basic Information

Product Name	2-Azabicyclo[2.1.1]Hexane-2-Carboxylic Acid, 5-Amino-, 1,1-Dimethylethyl Ester, (1R,4R,5S)-
CAS No.	1932212-66-2
Molecular Formula	C10H18N2O2
Molecular Weight	198.26 g/mol
Synonyms	(1R,4R,5S)-5-Amino-2-azabicyclo[2.1.1]hexane-2-carboxylic acid tert-butyl ester; tert-Butyl (1R,4R,5S)-5-amino-2-azabicyclo[2.1.1]hexane-2-carboxylate; (1R,4R,5S)-5-Amino-2-azabicyclo[2.1.1]hexane-2-carboxylic acid 1,1-dimethylethyl ester; Bicyclic Proline Derivative; Constrained Amino Acid Ester; 2-Aza-bicyclo[2.1.1]hexane-2-carboxylic acid, 5-amino-, 1,1-dimethylethyl ester, (1R,4R,5S)-; tert-Butyl 5-amino-2-azabicyclo[2.1.1]hexane-2-carboxylate (stereoisomer)
EINECS	Contact for details

Quality Control

This product is manufactured under strict quality management systems. Every batch undergoes comprehensive analytical testing, including HPLC for purity and chiral purity, NMR for structural confirmation, and MS for identity verification. We provide a detailed Certificate of Analysis (COA) with each shipment, ensuring full traceability and compliance with your research or cGMP guidelines for advanced intermediates. Specifications are aligned with the stringent requirements of pharmaceutical R&D.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (15-25°C). This compound is hygroscopic (moisture-sensitive) and must be kept under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent degradation. For long-term storage, consider storing at 2-8°C.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to reference spectrum
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Chiral Purity (Chiral HPLC)	≥ 99.0% ee
Water Content (KF)	≤ 0.5%
Residual Solvents (GC)	Complies with ICH Q3C guidelines
Heavy Metals	< 10 ppm

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.