Description

tert-Butyl 3-Oxo-3-Phenylpropanoate is a high-purity organic ester building block, also known as tert-butyl benzoylacetate. This compound serves as a versatile and critical intermediate in advanced organic synthesis, offering a reactive β-ketoester moiety protected by a tert-butyl group. It is primarily sought after by research and development chemists and process engineers in the pharmaceutical and fine chemical industries for constructing complex molecular architectures, including active pharmaceutical ingredients (APIs) and specialty agrochemicals.

Application

• Pharmaceutical Intermediate: Key building block in the synthesis of various drug candidates and active pharmaceutical ingredients (APIs), particularly those containing substituted phenyl and heterocyclic structures.
• Fine Chemical Synthesis: Used in the production of specialty chemicals, flavors, and fragrances where controlled introduction of a benzoylacetate unit is required.
• Agrochemical Research: Serves as a precursor in the development of novel herbicides, fungicides, and plant growth regulators.
• Academic & Industrial R&D: A valuable reagent for method development, catalysis studies, and exploring new synthetic pathways in organic chemistry laboratories.
• Material Science: Potential intermediate for synthesizing organic ligands, monomers, or photoactive compounds used in advanced materials.

Basic Information

Product Name	tert-Butyl 3-Oxo-3-Phenylpropanoate
CAS No.	54441-66-6
Molecular Formula	C₁₃H₁₆O₃
Molecular Weight	220.27 g/mol
Synonyms	tert-Butyl benzoylacetate; 3-Oxo-3-phenylpropanoic acid tert-butyl ester; Benzoylacetic acid tert-butyl ester; tert-Butyl β-ketophenylpropionate; 1-(tert-Butoxy)-1-oxo-3-phenylpropan-2-one; 54441-66-6; tert-Butyl 3-oxo-3-phenylpropionate
EINECS	Contact for details

Quality Control

Our tert-Butyl 3-Oxo-3-Phenylpropanoate is manufactured under strict quality management systems. Each batch undergoes comprehensive analytical testing to ensure identity, purity, and consistency. We provide Certificates of Analysis (COA) with detailed chromatographic and spectroscopic data (HPLC, GC, NMR, IR) upon request. Our quality commitment aligns with cGMP principles for pharmaceutical intermediates, ensuring reliable performance in your critical synthesis applications.

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, strong bases, and sources of ignition. For long-term storage, consider an inert atmosphere to maintain optimal purity.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid or low-melting solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC/GC)	≥97.0% (Typical 98.0-99.5%)
Water Content (KF)	≤0.5% w/w

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.