Description

Benzenebutanoic Acid, 4-Methyl-α-Oxo-, Methyl Ester is a specialized aromatic keto ester building block of significant interest in advanced organic synthesis. Its molecular structure, featuring both a phenylbutanoate backbone and a reactive α-keto ester moiety, makes it a valuable precursor for constructing complex molecules. This compound is primarily utilized by research chemists and process development scientists in the pharmaceutical and agrochemical industries for the development of new active ingredients and fine chemicals.

Application

• Pharmaceutical Intermediate: Serves as a key synthon in the research and development of novel drug candidates, particularly those requiring substituted phenylacetic acid derivatives.
• Agrochemical Synthesis: Used in the preparation of advanced herbicides, fungicides, and plant growth regulators that incorporate specific aromatic ketone functionalities.
• Fine Chemical Production: Acts as a versatile building block for synthesizing flavors, fragrances, and other high-value specialty chemicals.
• Academic & Industrial Research: Employed in methodological studies and as a model compound for exploring new organic reactions, such as asymmetric hydrogenations or cross-couplings.
• Material Science Precursor: Potential use in the synthesis of monomers or ligands for advanced polymeric materials and catalysts.

Basic Information

Product Name	Benzenebutanoic Acid, 4-Methyl-α-Oxo-, Methyl Ester
CAS No.	830319-44-3
Molecular Formula	C13H16O3
Molecular Weight	220.26 g/mol
Synonyms	4-Methyl-α-oxobenzenebutanoic acid methyl ester; Methyl 4-methyl-α-oxobenzenebutanoate; Methyl 4-methyl-2-oxo-4-phenylbutanoate; 2-Oxo-4-phenylbutyric acid, 4-methyl-, methyl ester; α-Keto ester derivative of 4-phenylbutyric acid; 4-Methyl-2-oxo-4-phenylbutanoic acid methyl ester
EINECS	Contact for details

Quality Control

Our production of Benzenebutanoic Acid, 4-Methyl-α-Oxo-, Methyl Ester adheres to stringent quality management protocols. Each batch undergoes comprehensive analytical testing, including HPLC for purity and identity confirmation via IR and NMR spectroscopy, to ensure it meets the exacting standards required for research and process chemistry. A detailed Certificate of Analysis (COA) is provided with every shipment, guaranteeing traceability, consistency, and reliability for your critical synthesis workflows.

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). Keep away from heat, sparks, and open flame. 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 or solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Melting Point	Contact for details
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.