Description

5-Methylsulfonyl-2-[((S)-2,2,2-Trifluoro-1-Methylethyl)Oxy]Benzoic Acid Methyl Ester is a high-purity, chiral synthetic intermediate of significant importance in advanced pharmaceutical research and development. Its core value lies in its unique molecular architecture, featuring a trifluoromethyl group and a methylsulfonyl moiety, which are critical for modulating the biological activity, metabolic stability, and physicochemical properties of target drug candidates. This compound is essential for medicinal chemists and process development scientists working in the discovery and scale-up of novel active pharmaceutical ingredients (APIs), particularly in therapeutic areas requiring sophisticated fluorine chemistry.

Application

• Pharmaceutical Intermediate: Serves as a key chiral building block in the synthesis of novel drug candidates, especially those targeting central nervous system (CNS) disorders, inflammatory diseases, and oncology.
• Agrochemical Research: Used in the development of advanced pesticides and herbicides, where the trifluoromethyl and sulfone groups contribute to enhanced efficacy and environmental stability.
• Fluorine Chemistry & Methodology Development: A valuable substrate for academic and industrial research focused on new fluorination techniques and stereoselective transformations.
• Process Chemistry & Route Scouting: Employed in the optimization and scale-up of synthetic pathways for complex molecules, aiding in the identification of cost-effective and robust manufacturing processes.
• Ligand & Catalyst Precursor: Potential use in the synthesis of specialized ligands or organocatalysts for asymmetric synthesis.
• Reference Standard: Provides a high-purity standard for analytical method development, quality control, and regulatory submissions in API manufacturing.

Basic Information

Product Name	5-Methylsulfonyl-2-[((S)-2,2,2-Trifluoro-1-Methylethyl)Oxy]Benzoic Acid Methyl Ester
CAS No.	845617-20-1
Molecular Formula	C₁₄H₁₅F₃O₆S
Molecular Weight	368.33 g/mol
Synonyms	Methyl 5-(Methylsulfonyl)-2-[[(1S)-2,2,2-trifluoro-1-methylethoxy]]benzoate; (S)-Methyl 5-(Methylsulfonyl)-2-(2,2,2-trifluoro-1-methylethoxy)benzoate; 2-[(S)-2,2,2-Trifluoro-1-methylethoxy]-5-methylsulfonylbenzoic Acid Methyl Ester; Benzoic acid, 5-(methylsulfonyl)-2-[[(1S)-2,2,2-trifluoro-1-methylethyl]oxy]-, methyl ester; CAS 845617-20-1
EINECS	Contact for details

Quality Control

Our production of 5-Methylsulfonyl-2-[((S)-2,2,2-Trifluoro-1-Methylethyl)Oxy]Benzoic Acid Methyl Ester adheres to stringent quality management systems. Each batch undergoes comprehensive analytical testing, including chiral purity verification by HPLC, to ensure compliance with exacting research and development standards. Certificates of Analysis (COA) detailing identity, purity, chiral excess, and impurity profiles are provided with every shipment to guarantee traceability and support your regulatory needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at a controlled room temperature (typically 15-25°C). The compound may be hygroscopic; 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 (HPLC)	Retention time matches reference standard
Assay (HPLC)	≥98.0%
Chiral Purity (Chiral HPLC)	≥99.0% ee
Related Substances (HPLC)	Total impurities ≤2.0%; Any single impurity ≤1.0%
Residual Solvents (GC)	Complies with ICH Q3C guidelines
Water Content (KF)	≤0.5%

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