Description

β-Oxo-4-tert-Butyl-Benzenepropanoic Acid 1,1-Dimethylethyl Ester is a high-purity organic intermediate characterized by its β-oxo ester structure and tert-butyl aromatic substitution. This compound matters as a versatile building block for the synthesis of more complex molecules, offering a reactive ketone and a protected carboxylic acid group for selective transformations. It is primarily needed by R&D chemists and process development teams in the pharmaceutical and agrochemical industries for constructing active ingredients and novel chemical entities.

Application

• Pharmaceutical Intermediate: Key synthon in the research and development of new active pharmaceutical ingredients (APIs), particularly for molecules requiring a substituted phenylpropanoate backbone.
• Agrochemical Synthesis: Used in the production of advanced herbicides, fungicides, and plant growth regulators where its aromatic and ester functionalities are incorporated into the final product.
• Organic Synthesis Building Block: Serves as a precursor for various organic reactions, including Claisen condensations, Grignard additions, and reductions, to create more complex esters, acids, and ketones.
• Fine Chemical Production: Employed in the manufacture of specialty chemicals, flavors, and fragrances that utilize its specific aromatic ketone ester structure.
• Material Science Research: Investigated as a monomer or cross-linking agent in the development of novel polymers with specific thermal or optical properties.

Basic Information

Product Name	β-Oxo-4-tert-Butyl-Benzenepropanoic Acid 1,1-Dimethylethyl Ester
CAS No.	545394-17-0
Molecular Formula	C17H24O3
Molecular Weight	276.37 g/mol
Synonyms	4-tert-Butyl-β-oxobenzenepropanoic acid tert-butyl ester; tert-Butyl 3-(4-tert-butylphenyl)-3-oxopropanoate; 3-(4-tert-Butylphenyl)-3-oxopropanoic acid tert-butyl ester; 3-Oxo-3-(4-tert-butylphenyl)propanoic acid tert-butyl ester; 4-tert-Butylbenzoylacetic acid tert-butyl ester; tert-Butyl 4-tert-butylbenzoylacetate; β-Oxo-4-tert-butylbenzenepropanoic acid tert-butyl ester
EINECS	Contact for details

Quality Control

Our β-Oxo-4-tert-Butyl-Benzenepropanoic Acid 1,1-Dimethylethyl Ester is produced under strict quality management systems. Every batch undergoes rigorous analytical testing, including HPLC, GC, and NMR, to ensure high chemical purity and consistent batch-to-batch reliability. Certificates of Analysis (COA) detailing identity, purity, and impurity profiles are available upon request to support your quality assurance and regulatory documentation needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at room temperature (15-25°C). Keep away from strong bases and incompatible materials such as strong oxidizing agents. The container should be kept tightly sealed to prevent moisture absorption and contamination.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (HPLC)	Retention time matches reference standard
Purity (HPLC)	≥ 98.0%
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.