Description

4H-1,3-Dioxolo[4,5-C]Azepin-4-One, Hexahydro-7,8-Dihydroxy-2,2-Dimethyl-, (3As,7R,8R,8As)- (9Ci) is a high-purity, stereochemically defined advanced pharmaceutical intermediate. This compound matters for its role as a critical chiral building block in the synthesis of complex active pharmaceutical ingredients (APIs), where its specific stereochemistry is essential for biological activity. It is primarily needed by R&D scientists and process chemists in the pharmaceutical and fine chemical industries working on novel drug development, particularly in therapeutic areas requiring sophisticated molecular architectures.

Application

• Pharmaceutical Intermediate: A key chiral synthon for the research and production of novel APIs, especially in central nervous system (CNS) and antiviral therapeutic areas.
• Asymmetric Synthesis: Utilized as a starting material or intermediate in catalytic asymmetric synthesis to construct complex molecules with high enantiomeric purity.
• Medicinal Chemistry Research: Serves as a versatile scaffold for structure-activity relationship (SAR) studies and lead optimization in drug discovery programs.
• Process Chemistry Development: Used in scaling up synthetic routes from laboratory to pilot plant and commercial manufacturing scales.
• Fine Chemical Production: Employed in the custom synthesis of specialty chemicals requiring a fused dioxolo-azepinone core structure.
• Academic & Institutional Research: A valuable compound for methodological studies in organic synthesis and heterocyclic chemistry at universities and research institutes.

Basic Information

Item	Detail
Product Name	4H-1,3-Dioxolo[4,5-C]Azepin-4-One, Hexahydro-7,8-Dihydroxy-2,2-Dimethyl-, (3As,7R,8R,8As)- (9Ci)
CAS No.	479412-95-8
Molecular Formula	C10H17NO5
Molecular Weight	231.25 g/mol
Synonyms	Hexahydro-7,8-dihydroxy-2,2-dimethyl-4H-1,3-dioxolo[4,5-c]azepin-4-one; (3aS,7R,8R,8aS)-Hexahydro-7,8-dihydroxy-2,2-dimethyl-4H-1,3-dioxolo[4,5-c]azepin-4-one; (3aS,7R,8R,8aS)-rel-Hexahydro-7,8-dihydroxy-2,2-dimethyl-4H-1,3-dioxolo[4,5-c]azepin-4-one; 4H-1,3-Dioxolo[4,5-c]azepin-4-one, hexahydro-7,8-dihydroxy-2,2-dimethyl-, (3aS,7R,8R,8aS)-; SCHEMBL21809027; AKOS040759246; A1-00823; ZINC000257430977
EINECS	Contact for details

Quality Control

Our 4H-1,3-Dioxolo[4,5-C]Azepin-4-One, Hexahydro-7,8-Dihydroxy-2,2-Dimethyl-, (3As,7R,8R,8As)- (9Ci) is manufactured under strict quality management systems to ensure batch-to-batch consistency and high purity. Each lot undergoes comprehensive analytical testing, including HPLC for assay and chiral purity, NMR for structural confirmation, and Karl Fischer titration for water content. Certificates of Analysis (COA) detailing all specifications are provided and available upon request to support your regulatory and quality assurance needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at a controlled room temperature (15-25°C). The product is hygroscopic (moisture-sensitive) and should be handled under an inert atmosphere when appropriate to ensure long-term stability.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (HPLC)	Retention time matches reference standard
Assay (HPLC)	≥ 98.0%
Chiral Purity (Chiral HPLC)	≥ 99.0% ee
Water Content (KF)	≤ 0.5%
Residual Solvents (GC)	Meets 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.