Description

1,3,2-Benzoxathiaphosphole, Hexahydro-3A-Methyl-6-(1-Methylethenyl)-2-[(2,3,4,5,6-Pentafluorophenyl)Thio]-, 2-Sulfide, (2S,3As,6R,7As)- is a high-purity, stereochemically defined organophosphorus-sulfur compound with a complex heterocyclic structure. This advanced chemical intermediate is valued for its unique reactivity profile, particularly in the synthesis of novel ligands and catalysts. It is primarily targeted at research and development teams in the pharmaceutical and agrochemical sectors, where it serves as a critical building block for creating new active ingredients and functional materials.

Application

• Pharmaceutical Intermediate: A key chiral synthon for the research and development of new drug candidates, particularly in medicinal chemistry programs.
• Agrochemical Synthesis: Used in the creation of novel pesticides, herbicides, and fungicides with potentially enhanced efficacy and selectivity.
• Catalyst & Ligand Development: Serves as a precursor for sophisticated phosphorus-sulfur ligands used in asymmetric catalysis and transition metal complexes.
• Material Science Research: Investigated for the development of advanced polymers and functional materials with specific electronic or optical properties.
• Chemical Biology Probes: Utilized in the design of molecular probes for studying enzyme mechanisms and biological pathways.
• Process Chemistry: Employed in route scouting and optimization for the scalable synthesis of complex molecules.

Basic Information

Product Name	1,3,2-Benzoxathiaphosphole, Hexahydro-3A-Methyl-6-(1-Methylethenyl)-2-[(2,3,4,5,6-Pentafluorophenyl)Thio]-, 2-Sulfide, (2S,3As,6R,7As)-
CAS No.	2245335-70-8
Molecular Formula	Contact for details
Molecular Weight	Contact for details
Synonyms	(2S,3aS,6R,7aS)-Hexahydro-3a-methyl-6-(prop-1-en-2-yl)-2-[(pentafluorophenyl)sulfanyl]-[1,3,2]benzoxathiaphosphole 2-sulfide; (2S,3aS,6R,7aS)-3a-Methyl-6-(1-methylethenyl)hexahydro-2-[(2,3,4,5,6-pentafluorophenyl)thio]-1,3,2-benzoxathiaphosphole 2-sulfide; Stereoisomer of Benzoxathiaphosphole sulfide derivative; Advanced Organophosphorus Intermediate; Pentafluorophenylthio-substituted Benzoxathiaphosphole.
EINECS	Contact for details

Quality Control

This high-value intermediate is produced under strict quality control protocols to ensure batch-to-batch consistency and purity for sensitive R&D applications. Our quality assurance includes comprehensive analytical characterization using techniques such as NMR, HPLC, and chiral analysis. Certificates of Analysis (COA) detailing identity, purity, and stereochemical composition are provided with every shipment.

Storage

Preserve in a tightly closed container, protected from light. Store under an inert atmosphere (e.g., nitrogen or argon) in a cool, dry place at a controlled room temperature (15-25°C). This compound is hygroscopic (moisture-sensitive) and easily oxidized; ensure containers are sealed immediately after use to minimize exposure to air and moisture.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Chiral Purity (Chiral HPLC)	≥ 98.0% ee
Water Content (KF)	≤ 0.5%
Residual Solvents (GC)	Meets ICH guidelines

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