Description

(S)-2-Methyl-2-Phenylbutanoic Acid CAS NO 3968-67-0 is a high-purity chiral carboxylic acid building block of significant importance in asymmetric synthesis. Its value lies in its defined stereochemistry, which is crucial for imparting specific biological activity and desired physical properties in the final target molecules. This compound is primarily needed by research institutions and pharmaceutical companies engaged in the development of active pharmaceutical ingredients (APIs), agrochemicals, and advanced materials.

Application

• Pharmaceutical Intermediate: A key chiral synthon in the synthesis of enantiomerically pure drugs, particularly non-steroidal anti-inflammatory drugs (NSAIDs) and other bioactive molecules.
• Agrochemical Research: Used in the development of chiral herbicides, fungicides, and plant growth regulators where stereochemistry affects efficacy and environmental profile.
• Ligand and Catalyst Preparation: Serves as a precursor for chiral ligands and organocatalysts used in asymmetric catalytic reactions.
• Fine Chemical Synthesis: Employed in the multi-step synthesis of complex natural products, flavors, and fragrances requiring high stereochemical fidelity.
• Academic & R&D: A valuable reagent for methodological studies in organic chemistry, particularly in exploring new asymmetric C-C bond formation and resolution techniques.
• Material Science: Potential building block for chiral polymers and liquid crystals with specialized optical properties.

Basic Information

Product Name	(S)-2-Methyl-2-Phenylbutanoic Acid
CAS No.	3968-67-0
Molecular Formula	C11H14O2
Molecular Weight	178.23 g/mol
Synonyms	(S)-2-Methyl-2-Phenylbutyric Acid; (S)-α-Methyl-α-phenylbutyric Acid; (S)-2-Phenyl-2-methylbutanoic Acid; L-2-Methyl-2-phenylbutanoic Acid; (2S)-2-Methyl-2-phenylbutanoic Acid; (S)-MPBA; Butanoic acid, 2-methyl-2-phenyl-, (2S)-; (-)-2-Methyl-2-phenylbutanoic acid
EINECS	223-567-8

Quality Control

Our (S)-2-Methyl-2-Phenylbutanoic Acid is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including chiral HPLC for enantiomeric excess (ee) verification, to ensure compliance with high-purity standards for research and pharmaceutical applications. A comprehensive Certificate of Analysis (COA) detailing identity, purity, chiral purity, and impurity profiles is provided with every shipment.

Storage

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

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Assay (HPLC)	≥ 98.0%
Enantiomeric Excess (Chiral HPLC)	≥ 99.0% ee
Melting Point	78 - 82 °C
Specific Rotation [α]20/D	-40° to -44° (c=1 in ethanol)
Loss on Drying	≤ 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.