Description

tert-Butyl (3As,6Ar)-2,3,3A,5,6,6A-Hexahydro-1H-Pyrrolo[3,2-B]Pyrrole-4-Carboxylate is a high-value, advanced pharmaceutical intermediate featuring a complex, conformationally constrained bicyclic pyrrolidine scaffold. This compound is critical for medicinal chemistry research and development, particularly in the synthesis of novel drug candidates targeting the central nervous system and other therapeutic areas. It is primarily utilized by pharmaceutical R&D laboratories and fine chemical manufacturers engaged in the production of complex active pharmaceutical ingredients (APIs).

Application

• Pharmaceutical Intermediate: Serves as a key chiral building block in the synthesis of complex drug molecules, especially those requiring rigid, three-dimensional frameworks.
• Medicinal Chemistry Research: Used in hit-to-lead and lead optimization campaigns to explore structure-activity relationships (SAR) and improve pharmacokinetic properties.
• Protease Inhibitor Development: The pyrrolidine-pyrrole core is a privileged structure found in inhibitors for various enzymes, making it valuable for targeted drug discovery.
• Asymmetric Synthesis: Employed as a chiral auxiliary or precursor in stereoselective synthesis to introduce specific stereocenters into target molecules.
• Chemical Biology Probes: Used to create tool compounds for studying biological pathways and target validation.
• Contract Research & Manufacturing (CRAM): Supplied to organizations providing custom synthesis and process development services for the pharmaceutical industry.

Basic Information

Product Name	tert-Butyl (3As,6Ar)-2,3,3A,5,6,6A-Hexahydro-1H-Pyrrolo[3,2-B]Pyrrole-4-Carboxylate
CAS No.	1251021-90-5
Molecular Formula	C12H20N2O2
Molecular Weight	224.30 g/mol
Synonyms	1H-Pyrrolo[3,2-b]pyrrole-4-carboxylic acid, 2,3,3a,5,6,6a-hexahydro-, 1,1-dimethylethyl ester, (3aR,6aR)-; (3aR,6aR)-tert-Butyl hexahydro-1H-pyrrolo[3,2-b]pyrrole-4-carboxylate; tert-Butyl (3aR,6aR)-hexahydro-1H-pyrrolo[3,2-b]pyrrole-4-carboxylate; (R,R)-tert-Butyl 2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrole-4-carboxylate; Bicyclic Pyrrolidine Ester; Chiral Pyrrolidine Building Block; CAS 1251021-90-5
EINECS	Contact for details

Quality Control

Our production of tert-Butyl (3As,6Ar)-2,3,3A,5,6,6A-Hexahydro-1H-Pyrrolo[3,2-B]Pyrrole-4-Carboxylate adheres to stringent quality protocols suitable for pharmaceutical R&D applications. Every batch undergoes comprehensive analytical characterization, including chiral purity verification, to ensure consistent identity, purity, and stereochemical integrity. Certificates of Analysis (COA) detailing HPLC/GC purity, chiral assay, NMR, and other relevant specifications are provided with each shipment. Our quality system is designed to support regulatory filings and meets the exacting standards of the global pharmaceutical supply chain.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place. Due to its hygroscopic (moisture-sensitive) nature, the container should be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent degradation. Recommended long-term storage temperature is 2-8°C (refrigerated) for optimal stability.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Chiral Purity (Chiral HPLC)	≥ 98.0% ee
Water Content (KF)	≤ 1.0%
Residue on Ignition	≤ 0.5%

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