Description

7H-4A,7-Epoxy-2,1-Benzoxathiin, 3,4,8,8A-Tetrahydro-4-Methyl-, 1,1-Dioxide, (4S,4As,7R,8As)- is a high-purity, stereochemically defined organic compound with the CAS registry number 828915-76-0. This compound is valued for its role as a key chiral intermediate or building block in advanced synthetic chemistry, particularly in the development of active pharmaceutical ingredients (APIs). It is essential for research and production teams in the pharmaceutical, agrochemical, and fine chemical sectors seeking to introduce specific stereochemistry into complex molecular architectures.

Application

• Pharmaceutical Intermediate: Serves as a critical chiral synthon in the multi-step synthesis of novel drug candidates, especially those targeting central nervous system (CNS) disorders or requiring specific enantiomeric purity.
• Agrochemical Research: Used in the development of new pesticides or herbicides where the defined stereochemistry of this benzoxathiin derivative can influence biological activity and selectivity.
• Asymmetric Catalysis Ligand Precursor: Acts as a starting material for synthesizing novel chiral ligands or organocatalysts used in enantioselective transformations.
• Fine Chemical Synthesis: Employed in custom synthesis and contract manufacturing for producing specialty chemicals with high added value.
• Academic & Industrial R&D: A valuable tool for chemists in universities and corporate labs exploring new synthetic methodologies or structure-activity relationships (SAR).

Basic Information

Product Name	7H-4A,7-Epoxy-2,1-Benzoxathiin, 3,4,8,8A-Tetrahydro-4-Methyl-, 1,1-Dioxide, (4S,4As,7R,8As)-
CAS No.	828915-76-0
Molecular Formula	C11H12O4S
Molecular Weight	240.27 g/mol
Synonyms	(4S,4aR,7R,8aS)-4-Methyl-3,4,4a,7,8,8a-hexahydro-1λ6,2-benzoxathiine-1,1-dione 7-oxide; (4S,4aR,7R,8aS)-4-Methyl-3,4,4a,7,8,8a-hexahydro-2,1-benzoxathiine-1,1-dioxide 7-oxide; Tetrahydro-4-methyl-7H-4a,7-epoxy-2,1-benzoxathiin 1,1-dioxide (stereoisomer); Chiral benzoxathiin dioxide; CAS 828915-76-0.
EINECS	Contact for details

Quality Control

Our production of this chiral intermediate adheres to strict quality management systems, ensuring batch-to-batch consistency and high enantiomeric purity. Each lot undergoes comprehensive analytical testing, including HPLC for chiral purity and assay, NMR for structural confirmation, and tests for residual solvents and moisture. A detailed Certificate of Analysis (COA) is provided with every shipment, documenting all critical specifications. We support development and commercial projects requiring compliance with cGMP and ICH Q7 guidelines.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C). This product is hygroscopic (moisture-sensitive) and light-sensitive; therefore, containers must be kept tightly sealed and opened under a dry, inert atmosphere when necessary to maintain stability and purity.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
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 limits

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