Description

(3S,4S)-2,2-Dimethyl-3β-Hydroxy-4β-(2-Oxopyrrolizino)-3,4-Dihydro-6-Cyano-2H-1-Benzopyran is a high-purity, stereochemically defined benzopyran derivative that serves as a critical chiral building block and advanced pharmaceutical intermediate. Its complex fused-ring structure and specific stereochemistry make it invaluable for the synthesis of novel bioactive compounds, particularly in medicinal chemistry research. This compound is primarily targeted at pharmaceutical R&D laboratories and fine chemical manufacturers engaged in developing new therapeutic agents, especially those exploring central nervous system (CNS) or cardiovascular targets.

Application

• Pharmaceutical Intermediate: A key chiral synthon in the multi-step synthesis of complex drug candidates, particularly those with benzopyran or pyrrolizine scaffolds.
• Medicinal Chemistry Research: Used as a core structural motif for structure-activity relationship (SAR) studies and lead optimization in drug discovery programs.
• Asymmetric Synthesis: Employed as a starting material or intermediate in stereoselective synthesis due to its defined (3S,4S) configuration.
• Reference Standard: Serves as a high-purity analytical standard for quality control and method development in pharmaceutical analysis.
• Chemical Biology Probes: Utilized in the development of molecular probes to study enzyme function or biological pathways.
• Academic Research: A valuable compound for university and institutional research in organic synthesis methodology and heterocyclic chemistry.

Basic Information

Product Name	(3S,4S)-2,2-Dimethyl-3β-Hydroxy-4β-(2-Oxopyrrolizino)-3,4-Dihydro-6-Cyano-2H-1-Benzopyran
CAS No.	148811-94-3
Molecular Formula	C19H20N2O3
Molecular Weight	324.38 g/mol
Synonyms	6-Cyano-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-3,4-diol, 4-(2-oxopyrrolizino) derivative, (3S,4S)-rel-; (3S,4S)-2,2-Dimethyl-3,4-dihydro-2H-1-benzopyran-3,4-diol, 6-cyano-4-(2-oxo-1-pyrrolizinyl)-; 6-Cyano-2,2-dimethyl-4-(2-oxopyrrolizino)-3,4-dihydro-2H-1-benzopyran-3-ol; (3S-cis)-6-Cyano-2,2-dimethyl-4-(2-oxo-1-pyrrolizinyl)-2H-1-benzopyran-3-ol; A benzopyran-pyrrolizine conjugate.
EINECS	Contact for details

Quality Control

Our (3S,4S)-2,2-Dimethyl-3β-Hydroxy-4β-(2-Oxopyrrolizino)-3,4-Dihydro-6-Cyano-2H-1-Benzopyran is manufactured under a strict quality management system. Each batch undergoes comprehensive analytical testing, including chiral purity verification by HPLC, to ensure identity, strength, and purity. Certificates of Analysis (COA) detailing all test results are provided and can be tailored to meet specific client or regulatory requirements.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (15-25°C). Due to its hygroscopic nature, the container must be kept tightly sealed after each use to prevent moisture absorption, which may affect stability and handling properties. For long-term storage, consider the use of desiccants.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to reference spectrum
Identification (HPLC)	Retention time matches reference standard
Assay (HPLC)	≥ 98.0%
Chiral Purity (Chiral HPLC)	≥ 99.0% (3S,4S) isomer
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 10 ppm

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