Description

Benzeneacetic Acid, α-Methyl-4-(2-Methylpropyl)-, Methyl Ester, (αs)- CAS NO 81576-55-8 is a specialized chiral ester compound of significant interest in advanced organic synthesis. This high-purity intermediate is valued for its precise stereochemistry and functional group compatibility, enabling the construction of complex molecular architectures. It is primarily sought by research and development teams in the pharmaceutical and fine chemical industries for applications requiring enantioselective control.

Application

• Pharmaceutical Intermediate: A key chiral building block in the synthesis of active pharmaceutical ingredients (APIs), particularly for non-steroidal anti-inflammatory drugs (NSAIDs) and other therapeutic agents.
• Fine Chemical Synthesis: Used in the production of complex fragrances, flavors, and other specialty chemicals where stereochemical purity is critical.
• Agrochemical Research: Employed as an intermediate in developing advanced, enantiomerically pure pesticides and herbicides.
• Academic & Industrial R&D: Serves as a valuable reagent in methodological development for asymmetric synthesis and catalysis studies.
• Material Science Precursor: Potential use in creating chiral dopants for liquid crystals or other advanced functional materials.

Basic Information

Product Name	Benzeneacetic Acid, α-Methyl-4-(2-Methylpropyl)-, Methyl Ester, (αs)-
CAS No.	81576-55-8
Molecular Formula	C14H20O2
Molecular Weight	220.31 g/mol
Synonyms	(S)-2-(4-Isobutylphenyl)propionic acid methyl ester; Methyl (S)-2-(4-isobutylphenyl)propionate; (S)-Ibuprofen methyl ester; Methyl (S)-ibuprofen; (αS)-α-Methyl-4-(2-methylpropyl)benzeneacetic acid methyl ester; (S)-Methyl 2-(4-isobutylphenyl)propanoate; L-748,780 (pharmaceutical research code)
EINECS	Contact for details

Quality Control

Our production of this chiral ester adheres to strict quality management systems, ensuring batch-to-batch consistency and high enantiomeric excess (e.e.). Each lot is characterized using advanced analytical techniques including chiral HPLC, GC, and NMR to verify identity, purity, and stereochemical integrity. Certificates of Analysis (COA) detailing all critical parameters are provided and can be tailored to meet specific customer or regulatory requirements.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at controlled room temperature (15-25°C). Keep away from strong oxidizing agents and bases.

Specification

Item	Specification
Appearance	Colorless to pale yellow clear liquid
Identification (IR)	Conforms to reference spectrum
Assay (HPLC)	≥ 98.0%
Enantiomeric Excess (Chiral HPLC)	≥ 99.0%
Specific Rotation	Contact for details
Water Content (KF)	≤ 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.