Description

5-Methylsulfonyl-2-[((R)-2,2,2-Trifluoro-1-Methylethyl)Oxy]Benzoic Acid Methyl Ester is a high-purity, chiral synthetic intermediate of significant importance in modern pharmaceutical development. Its value lies in its unique trifluoromethyl and methylsulfonyl functional groups, which are critical for modulating the biological activity, metabolic stability, and lipophilicity of target drug molecules. This compound is essential for research chemists and process development teams in the pharmaceutical and agrochemical industries, particularly for the synthesis of novel active ingredients.

Application

• Pharmaceutical Intermediate: A key chiral building block for the synthesis of active pharmaceutical ingredients (APIs), especially in therapeutic areas requiring fluorinated compounds.
• Agrochemical Research: Used in the development of advanced herbicides, fungicides, and insecticides where the trifluoromethyl group enhances efficacy and environmental stability.
• Medicinal Chemistry: Serves as a crucial scaffold for structure-activity relationship (SAR) studies and the discovery of new drug candidates.
• Process Chemistry: Employed in route scouting and optimization for the scalable production of complex organic molecules.
• Chemical Biology: Utilized as a probe or precursor in the study of enzyme mechanisms and biological pathways.
• Material Science: Potential intermediate for specialty polymers or liquid crystals that incorporate sulfone and fluorine functionalities.

Basic Information

Product Name	5-Methylsulfonyl-2-[((R)-2,2,2-Trifluoro-1-Methylethyl)Oxy]Benzoic Acid Methyl Ester
CAS No.	845617-21-2
Molecular Formula	C₁₂H₁₃F₃O₅S
Molecular Weight	326.29 g/mol
Synonyms	Methyl 5-(Methylsulfonyl)-2-[(1R)-2,2,2-trifluoro-1-methylethoxy]benzoate; (R)-Methyl 2-(1,1,1-Trifluoropropan-2-yloxy)-5-(methylsulfonyl)benzoate; Benzoic acid, 5-(methylsulfonyl)-2-[(1R)-2,2,2-trifluoro-1-methylethoxy]-, methyl ester; CAS 845617-21-2
EINECS	Contact for details

Quality Control

Our 5-Methylsulfonyl-2-[((R)-2,2,2-Trifluoro-1-Methylethyl)Oxy]Benzoic Acid Methyl Ester is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including chiral purity analysis, to ensure compliance with exacting customer specifications and industry standards. Certificates of Analysis (COA) detailing identity, purity, and impurity profiles are provided with every shipment and are available upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area at a controlled room temperature (typically 15-25°C). Keep away from strong oxidizing agents, strong bases, and sources of ignition. For long-term storage, consider an inert atmosphere to maintain optimal stability.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (HPLC)	Conforms to reference standard
Assay (HPLC)	≥98.0%
Chiral Purity (Chiral HPLC)	≥99.0% ee
Related Substances (HPLC)	Total impurities ≤2.0%
Residual Solvents (GC)	Complies with ICH guidelines
Loss on Drying	≤0.5%

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