Description

β-Oxo-Benzenepentanoic Acid 1,1-Dimethylethyl Ester is a high-purity organic intermediate characterized by its β-oxo ester functionality attached to a benzenepentanoic acid backbone. This compound is valued for its role as a versatile building block in sophisticated organic synthesis, enabling the construction of complex molecular architectures. It is primarily sought after by research institutions and industrial R&D departments in the pharmaceutical and agrochemical sectors for the development of new active ingredients and fine chemicals.

Application

• Pharmaceutical Intermediate: A key synthon in the research and development of novel active pharmaceutical ingredients (APIs), particularly for compounds requiring specific carboxylic acid ester precursors.
• Agrochemical Synthesis: Used in the production of advanced herbicides, fungicides, and plant growth regulators where its molecular structure contributes to desired biological activity.
• Organic Chemical Research: Serves as a critical starting material or intermediate in academic and industrial laboratories for studying reaction mechanisms and synthesizing complex organic molecules.
• Fine Chemical Production: Employed in the manufacture of specialty chemicals, including flavors, fragrances, and advanced materials, where high purity and specific functionality are required.
• Peptide Mimetic Development: Its structure makes it suitable for creating peptide analogs and mimetics in medicinal chemistry programs.

Basic Information

Product Name	β-Oxo-Benzenepentanoic Acid 1,1-Dimethylethyl Ester
CAS No.	95679-57-5
Molecular Formula	C15H20O3
Molecular Weight	248.32 g/mol
Synonyms	5-Oxo-5-phenylpentanoic acid tert-butyl ester; tert-Butyl 5-oxo-5-phenylpentanoate; 5-Phenyl-5-oxopentanoic acid tert-butyl ester; Benzenepentanoic acid, 5-oxo-, 1,1-dimethylethyl ester; β-Oxo-benzenepentanoic acid tert-butyl ester; 95679-57-5; tert-Butyl β-oxo-β-phenylvalerate
EINECS	Contact for details

Quality Control

Our β-Oxo-Benzenepentanoic Acid 1,1-Dimethylethyl Ester is produced under strict quality management protocols. Each batch undergoes rigorous analytical testing, including HPLC for purity and identity confirmation via spectroscopic methods, to ensure it meets the high standards required for research and synthesis applications. Certificates of Analysis (COA) documenting all critical parameters are available upon request to support your quality assurance and regulatory needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at controlled room temperature (typically 15-25°C). Keep away from strong oxidizing agents, strong acids, and strong bases. For long-term storage under inert atmosphere, please contact us for specific recommendations.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	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.