Description

Benzeneacetic Acid, A-(1-Methylethyl)-, Methyl Ester, (S)- is a chiral, non-racemic ester derivative of phenylacetic acid, characterized by its specific stereochemistry at the alpha carbon. This compound is a high-value intermediate prized for its role in the synthesis of enantiomerically pure pharmaceuticals and fine chemicals. It is essential for research and production chemists in the pharmaceutical, agrochemical, and advanced materials sectors who require a reliable source of a specific stereoisomer to ensure the efficacy and safety of their final products.

Application

• Pharmaceutical Intermediate: A key chiral building block for the synthesis of active pharmaceutical ingredients (APIs), particularly in the development of anti-inflammatory drugs, analgesics, and other therapeutic agents.
• Agrochemical Synthesis: Used in the production of enantiomerically pure pesticides and herbicides, where the specific stereochemistry can be critical for biological activity and environmental safety.
• Fine Chemical Production: Serves as a precursor in the manufacture of specialty chemicals, flavors, and fragrances that require a defined stereochemical configuration.
• Asymmetric Catalysis Research: Employed as a standard or substrate in academic and industrial research focused on developing new chiral catalysts and synthetic methodologies.
• Material Science: Potential use as a monomer or modifying agent for creating polymers with specific optical or physical properties.

Basic Information

Product Name	Benzeneacetic Acid, A-(1-Methylethyl)-, Methyl Ester, (S)-
CAS No.	127641-47-8
Molecular Formula	C12H16O2
Molecular Weight	192.26 g/mol
Synonyms	(S)-α-Isopropylphenylacetic Acid Methyl Ester; (S)-Methyl 2-Phenyl-3-Methylbutyrate; (S)-Methyl 2-Isopropyl-2-Phenylacetate; Methyl (S)-2-Isopropyl-2-Phenylacetate; (S)-2-Isopropyl-2-Phenylacetic Acid Methyl Ester; (S)-Methyl α-Isopropylbenzeneacetate; (S)-HMPA Methyl Ester; (S)-Methyl 2-Phenylisovalerate
EINECS	Contact for details

Quality Control

Our Benzeneacetic Acid, A-(1-Methylethyl)-, Methyl Ester, (S)- is manufactured under strict quality management systems. Each batch undergoes comprehensive analytical testing to ensure identity, purity, and enantiomeric excess meet stringent specifications. Certificates of Analysis (COA) detailing results for assay, chiral purity, and impurity profiles are provided with every shipment to support your quality assurance and regulatory compliance needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area at controlled room temperature (15-25°C). Keep away from heat, sparks, and open flame. For long-term storage, consider an inert atmosphere to maintain optimal stability.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
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.