Description

β-Oxo-4-Fluoro-Benzenepropanoic Acid 1,1-Dimethylethyl Ester is a high-value fluorinated aromatic building block and protected intermediate essential for advanced organic synthesis. This compound is critical for researchers and manufacturers requiring precise molecular architecture in complex chemical processes. It is primarily utilized in the development of active pharmaceutical ingredients (APIs), agrochemicals, and specialty materials where the introduction of a fluorine atom and a protected β-keto acid moiety is required.

Application

• Pharmaceutical Intermediate: Key building block for synthesizing fluorinated drug candidates, particularly in central nervous system (CNS) and anti-inflammatory therapeutic areas.
• Agrochemical Synthesis: Used in the research and production of advanced herbicides and pesticides that benefit from fluorinated aromatic systems for enhanced activity and stability.
• Liquid Crystal & OLED Materials: Serves as a precursor for fluorinated components in electronic display materials, where fluorine improves thermal stability and optical properties.
• Peptide Mimetics & Protease Inhibitors: The β-oxo ester functionality is valuable for constructing peptide analogs and enzyme inhibitors in medicinal chemistry.
• Cross-Coupling Reactions: Acts as a substrate in palladium-catalyzed cross-coupling reactions (e.g., Suzuki, Heck) to create complex biaryl structures.
• Chemical Research & Development: A versatile reagent for academic and industrial R&D labs exploring new synthetic methodologies involving fluorinated compounds.

Basic Information

Product Name	β-Oxo-4-Fluoro-Benzenepropanoic Acid 1,1-Dimethylethyl Ester
CAS No.	502424-52-4
Molecular Formula	C13H15FO3
Molecular Weight	238.26 g/mol
Synonyms	tert-Butyl 3-(4-fluorophenyl)-3-oxopropanoate; 3-(4-Fluorophenyl)-3-oxopropanoic Acid tert-Butyl Ester; 4-Fluoro-β-oxobenzenepropanoic Acid tert-Butyl Ester; tert-Butyl 4-fluoro-β-oxohydrocinnamate; 3-Oxo-3-(4-fluorophenyl)propanoic Acid tert-Butyl Ester; 502424-52-4; tert-Butyl (4-fluorobenzoyl)acetate
EINECS	Contact for details

Quality Control

Our β-Oxo-4-Fluoro-Benzenepropanoic Acid 1,1-Dimethylethyl Ester is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, GC, NMR, and mass spectrometry, to ensure high purity and batch-to-batch consistency suitable for demanding synthetic applications. Comprehensive Certificates of Analysis (COA) detailing purity, identity, and impurity profiles are provided with every shipment.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C). Keep away from heat, sparks, and open flame. The compound is light-sensitive (store away from light).

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Melting Point	Contact for details
Loss on Drying	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 10 ppm

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