Description

(2R,3S)-Methyl 2-(4-Bromophenyl)-3-(Trifluoromethyl)-1,4-Oxathiane-3-Carboxylate CAS NO 876156-57-9 is a high-purity, chiral oxathiane derivative that serves as a critical advanced intermediate in modern organic synthesis. Its value lies in the precise stereochemistry and the unique combination of functional groups—bromophenyl, trifluoromethyl, and carboxylate ester—which enable the construction of complex, biologically active molecules. This compound is essential for research and development chemists in the pharmaceutical and agrochemical industries, particularly for creating novel active ingredients where fluorinated motifs and defined chirality are required for efficacy.

Application

• Pharmaceutical Intermediate: A key chiral building block for the synthesis of novel drug candidates, especially those targeting central nervous system (CNS) disorders, infectious diseases, and metabolic conditions.
• Agrochemical Synthesis: Used in the research and development of next-generation herbicides, fungicides, and insecticides, where the trifluoromethyl group enhances lipophilicity and metabolic stability.
• Ligand and Catalyst Development: Serves as a precursor for chiral ligands or organocatalysts used in asymmetric synthesis to control stereoselectivity in carbon-carbon and carbon-heteroatom bond formations.
• Material Science Research: Investigated as a monomer or functional additive for creating specialty polymers with specific optical or electronic properties.
• Chemical Biology Probes: Utilized in the design and synthesis of molecular probes for studying enzyme mechanisms or protein-ligand interactions due to its potential as a reactive handle.

Basic Information

Product Name	(2R,3S)-Methyl 2-(4-Bromophenyl)-3-(Trifluoromethyl)-1,4-Oxathiane-3-Carboxylate
CAS No.	876156-57-9
Molecular Formula	C14H12BrF3O3S
Molecular Weight	397.21 g/mol
Synonyms	Methyl (2R,3S)-2-(4-bromophenyl)-3-(trifluoromethyl)-1,4-oxathiane-3-carboxylate; (2R,3S)-2-(4-Bromophenyl)-3-(trifluoromethyl)-1,4-oxathiane-3-carboxylic acid methyl ester; 1,4-Oxathiane-3-carboxylic acid, 2-(4-bromophenyl)-3-(trifluoromethyl)-, methyl ester, (2R,3S)-; CAS 876156-57-9; (2R,3S)-Methyl 2-(p-bromophenyl)-3-(trifluoromethyl)-1,4-oxathiane-3-carboxylate; Chiral Oxathiane Ester Intermediate; 4-Bromo-α-(trifluoromethyl)-1,4-oxathiane-3-carboxylic Acid Methyl Ester (stereospecific)
EINECS	Contact for details

Quality Control

Our (2R,3S)-Methyl 2-(4-Bromophenyl)-3-(Trifluoromethyl)-1,4-Oxathiane-3-Carboxylate is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including chiral HPLC for enantiomeric excess (ee) and standard purity assays, to ensure it meets the high standards required for advanced synthetic applications. Certificates of Analysis (COA) detailing identity, purity, and chiral purity are provided with every shipment. We support cGMP compliance for pharmaceutical development and can tailor specifications to meet your project's specific 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). Keep away from strong bases and incompatible materials such as strong oxidizing agents. The container must be kept tightly sealed to protect from moisture.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (HPLC)	Retention time matches reference standard
Purity (HPLC)	≥ 98.0%
Chiral Purity (Chiral HPLC)	≥ 99.0% ee
Melting Point	Contact for details
Loss on Drying	≤ 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.