Description

Benzo[B]Thiophene, 2,3,3A,6,7,7A-Hexahydro-3-Methoxy-3A-Methyl-, 1-Oxide, (1R,3S,3As,7As)-Rel- is a high-purity, stereochemically defined heterocyclic building block of significant interest in advanced organic synthesis. This compound matters as a key chiral intermediate for the research and development of novel pharmaceuticals and agrochemicals, where its unique fused ring system and defined stereochemistry enable the construction of complex molecular architectures. It is primarily needed by R&D chemists and process development scientists in the pharmaceutical, biotechnology, and fine chemical industries.

Application

• Pharmaceutical Intermediate: Serves as a critical chiral synthon in the synthesis of potential drug candidates, particularly for central nervous system (CNS) and anti-inflammatory targets.
• Agrochemical Research: Used in the development of new pesticides and herbicides, leveraging its heterocyclic structure for biological activity.
• Asymmetric Catalysis: Acts as a precursor or ligand in the development of novel chiral catalysts for stereoselective transformations.
• Material Science Research: Investigated as a building block for advanced organic electronic materials due to its benzo[b]thiophene core.
• Process Chemistry Development: Employed in scaling up synthetic routes for active pharmaceutical ingredients (APIs) requiring this specific stereochemistry.
• Academic & Institutional Research: Utilized in universities and research institutes for methodological studies in heterocyclic and stereoselective chemistry.

Basic Information

Product Name	Benzo[B]Thiophene, 2,3,3A,6,7,7A-Hexahydro-3-Methoxy-3A-Methyl-, 1-Oxide, (1R,3S,3As,7As)-Rel-
CAS No.	676608-25-6
Molecular Formula	C11H16O2S
Molecular Weight	212.31 g/mol
Synonyms	(1R,3S,3aS,7aS)-rel-2,3,3a,6,7,7a-Hexahydro-3-methoxy-3a-methyl-1-benzothiophene 1-oxide; rel-(3aR,7aS)-3-Methoxy-3a-methyl-2,3,3a,6,7,7a-hexahydro-1-benzothiophene 1-oxide; Hexahydro-3-methoxy-3a-methylbenzo[b]thiophene 1-oxide; Chiral Benzo[b]thiophene Sulfoxide; (rel)-(3aR,7aS)-3a-Methylhexahydrobenzo[b]thiophene-3-ol methyl ether 1-oxide
EINECS	Contact for details

Quality Control

Our Benzo[B]Thiophene derivative is produced under strict quality management protocols to ensure batch-to-batch consistency and high purity, essential for sensitive synthetic applications. All products undergo rigorous analytical testing, including chiral HPLC and NMR, to confirm identity, stereochemical purity, and chemical purity. Certificates of Analysis (COA) detailing specific results for each batch are available upon request, supporting compliance with internal quality standards and research documentation requirements.

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 compound may be hygroscopic (moisture-sensitive); keep the container tightly sealed under an inert atmosphere if specified. Keep away from strong oxidizing agents.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Chiral Purity (Chiral HPLC)	≥ 98.0% de
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%

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