Description

(S)-Methyl 4-(4,4,4-Trifluoro-1-Hydroxybutyl)Benzoate is a high-value chiral intermediate characterized by a benzoate ester core with a trifluoromethyl-substituted hydroxybutyl side chain in the (S)-enantiomeric form. This compound matters for its role as a critical building block in the synthesis of advanced pharmaceutical agents, particularly those targeting metabolic and central nervous system disorders. It is primarily needed by R&D chemists and process development scientists in the pharmaceutical and fine chemical industries for creating novel active pharmaceutical ingredients (APIs) with enhanced efficacy and selectivity.

Application

• Pharmaceutical Intermediate: A key chiral synthon in the research and production of novel drug candidates, especially in metabolic disease and CNS therapeutic areas.
• Agrochemical Synthesis: Used in the development of advanced pesticides and herbicides where the trifluoromethyl group imparts improved biological activity and stability.
• Liquid Crystal Materials: Serves as a precursor for fluorine-containing liquid crystal compounds used in display technologies.
• Advanced Material Science: Employed in the synthesis of specialty polymers and organic electronic materials requiring specific fluorinated motifs.
• Asymmetric Catalysis Research: Utilized as a standard or substrate in methodological studies for developing new chiral synthesis routes.
• Reference Standard: Serves as a high-purity analytical standard for quality control and regulatory filing in pharmaceutical development.

Basic Information

Product Name	(S)-Methyl 4-(4,4,4-Trifluoro-1-Hydroxybutyl)Benzoate
CAS No.	953422-97-4
Molecular Formula	C12H13F3O3
Molecular Weight	262.22 g/mol
Synonyms	(S)-Methyl 4-(4,4,4-Trifluoro-1-hydroxybutyl)benzoate; Benzoic acid, 4-[(1S)-4,4,4-trifluoro-1-hydroxybutyl]-, methyl ester; Methyl (S)-4-(4,4,4-trifluoro-1-hydroxybutyl)benzoate; (S)-4-(4,4,4-Trifluoro-1-hydroxybutyl)benzoic acid methyl ester; (S)-Methyl 4-(4,4,4-trifluoro-1-hydroxy-butyl)benzoate; CAS 953422-97-4
EINECS	Contact for details

Quality Control

Our (S)-Methyl 4-(4,4,4-Trifluoro-1-Hydroxybutyl)Benzoate is manufactured under strict quality management systems. Every batch undergoes rigorous analytical testing, including chiral HPLC for enantiomeric excess (ee) verification, to ensure compliance with high-purity standards for pharmaceutical R&D. Comprehensive Certificates of Analysis (COA) detailing identity, purity, and impurity profiles are provided with each shipment to support your regulatory and quality assurance 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 organic solvents. For long-term storage under inert atmosphere, please contact our technical team for specific recommendations.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Enantiomeric Excess (Chiral HPLC)	≥ 99.0% ee
Loss on Drying	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 10 ppm

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