Description

1,3,2-Benzoxathiaphosphole, Hexahydro-3A-Methyl-6-(1-Methylethenyl)-2-[(2,3,4,5,6-Pentafluorophenyl)Thio]-, 2-Sulfide, (2R,3Ar,6S,7Ar)- is a high-purity, stereochemically defined organosulfur-phosphorus heterocyclic compound. This advanced chemical intermediate is valued for its unique molecular architecture, which incorporates a benzoxathiaphosphole core, an isopropenyl group, and a pentafluorophenylthio moiety, making it a versatile building block for sophisticated synthetic applications. It is primarily sought after by research and development teams in the pharmaceutical and agrochemical sectors for constructing complex molecules with potential biological activity.

Application

• Pharmaceutical Intermediate: A key chiral synthon in the research and development of novel active pharmaceutical ingredients (APIs), particularly for candidates targeting central nervous system (CNS) disorders or infectious diseases.
• Agrochemical Research: Serves as a precursor in the synthesis of new-generation herbicides, fungicides, or insecticides, leveraging the bioactivity of the sulfur-phosphorus heterocycle and fluorinated aryl group.
• Ligand & Catalyst Development: Utilized in organometallic chemistry and catalysis research due to its potential to act as a chelating or monodentate ligand for transition metals.
• Material Science Precursor: Investigated for incorporation into specialty polymers or functional materials where the specific stereochemistry and fluorine content can impart desired physical or chemical properties.
• Chemical Biology Probe: Used in academic and industrial research to study enzyme mechanisms or biological pathways where its structure can mimic natural substrates or act as an inhibitor.

Basic Information

Product Name	1,3,2-Benzoxathiaphosphole, Hexahydro-3A-Methyl-6-(1-Methylethenyl)-2-[(2,3,4,5,6-Pentafluorophenyl)Thio]-, 2-Sulfide, (2R,3Ar,6S,7Ar)-
CAS No.	2245335-71-9
Molecular Formula	C16H16F5OPS2
Molecular Weight	414.39 g/mol
Synonyms	(2R,3aR,6S,7aR)-Hexahydro-3a-methyl-6-(prop-1-en-2-yl)-2-[(pentafluorophenyl)sulfanyl]-[1,3,2]benzoxathiaphosphole 2-sulfide; (2R,3aR,6S,7aR)-3a-Methyl-6-(1-methylethenyl)hexahydro-2-[(2,3,4,5,6-pentafluorophenyl)thio]-1,3,2-benzoxathiaphosphole 2-sulfide; CAS 2245335-71-9; Pentafluorophenylthio-substituted benzoxathiaphosphole sulfide; Chiral benzoxathiaphosphole derivative.
EINECS	Contact for details

Quality Control

Our production of this advanced intermediate adheres to strict quality management protocols, ensuring batch-to-batch consistency and high purity for research applications. Quality is verified through a comprehensive suite of analytical techniques including HPLC, GC, NMR, and chiral analysis. A detailed Certificate of Analysis (COA) is provided with each shipment, documenting purity, enantiomeric excess, and key physicochemical parameters.

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). Keep the container tightly sealed under an inert atmosphere to ensure long-term stability.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Enantiomeric Excess (Chiral HPLC)	≥ 98.0%
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.