Description

Benzenepropanoic Acid, α-Fluoro-4-Methyl-β-Oxo-, Methyl Ester (9Ci) is a specialized fluorinated aromatic ester, a key building block in advanced organic synthesis. This compound matters for its role in introducing the α-fluoro-β-ketoester moiety, a valuable functional group for modulating the biological activity and physicochemical properties of target molecules. It is primarily needed by research chemists and process development scientists in the pharmaceutical and agrochemical industries for the synthesis of novel active ingredients and complex intermediates.

Application

• Pharmaceutical Intermediate: Serves as a critical precursor in the synthesis of fluorinated drug candidates, particularly those targeting metabolic and central nervous system disorders.
• Agrochemical Synthesis: Used in the development of novel herbicides and pesticides, where the fluorine atom enhances stability and bioavailability.
• Material Science Research: Employed in the creation of specialty polymers and advanced organic materials with tailored electronic or surface properties.
• Chemical Biology Probes: Acts as a building block for fluorinated probes and tags used in studying enzyme mechanisms and protein interactions.
• Academic & R&D Laboratories: A valuable reagent for methodological development in fluorination chemistry and asymmetric synthesis.
• Fine Chemical Production: Utilized in the multi-step synthesis of complex fragrance and flavor ingredients requiring specific stereochemistry.

Basic Information

Product Name	Benzenepropanoic Acid, α-Fluoro-4-Methyl-β-Oxo-, Methyl Ester (9Ci)
CAS No.	76435-48-8
Molecular Formula	C11H11FO3
Molecular Weight	210.20 g/mol
Synonyms	Methyl 2-fluoro-3-oxo-3-(4-methylphenyl)propanoate; 2-Fluoro-3-oxo-3-(p-tolyl)propionic acid methyl ester; α-Fluoro-β-oxo-4-methylbenzenepropanoic acid methyl ester; Methyl α-fluoro-4-methyl-β-oxobenzenepropanoate; 76435-48-8; p-Methylbenzoylfluoroacetic acid methyl ester; Fluoromethyl p-toluoylacetate
EINECS	Contact for details

Quality Control

Our Benzenepropanoic Acid, α-Fluoro-4-Methyl-β-Oxo-, Methyl Ester (9Ci) is produced under strict quality management protocols. Each batch undergoes rigorous analytical testing, including HPLC, GC, and NMR, to ensure high purity and consistent chemical identity. Certificates of Analysis (COA) detailing purity, impurity profile, and physical characteristics are available upon request to support your quality assurance and regulatory documentation.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (typically 15-25°C). Keep away from heat, sparks, and open flame. Due to its light-sensitive nature, handling and transfers should be minimized under direct light exposure.

Specification

Item	Specification
Appearance	White to off-white crystalline powder or solid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
Single Unknown Impurity (HPLC)	≤ 1.0%

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