Description

Benzenepropanoic Acid, α-Fluoro-3-Methyl-β-Oxo-, Methyl Ester (9Ci) is a specialized fluorinated organic ester compound, identified by CAS number 80171-30-8, serving as a critical building block in advanced chemical synthesis. Its value lies in the strategic incorporation of fluorine and a β-keto ester moiety, which are pivotal for modulating the biological activity and physicochemical properties of target molecules. This high-purity intermediate is essential for research and development chemists in the pharmaceutical and agrochemical industries, where it is used to create novel active ingredients with enhanced efficacy and stability.

Application

• Pharmaceutical Intermediate: A key synthon for the research and development of new drug candidates, particularly in medicinal chemistry programs targeting central nervous system (CNS) disorders, metabolic diseases, and anti-inflammatory agents.
• Agrochemical Synthesis: Used in the production of advanced pesticides and herbicides, where the fluorine atom contributes to improved lipophilicity, metabolic stability, and biological activity of the final product.
• Chemical Research & Development: Serves as a versatile fluorinated building block in organic synthesis for constructing complex molecular architectures in academic and industrial R&D settings.
• Material Science Precursor: Potential application in the synthesis of specialty polymers and advanced materials that require fluorinated components for specific thermal or chemical resistance properties.

Basic Information

Product Name	Benzenepropanoic Acid, α-Fluoro-3-Methyl-β-Oxo-, Methyl Ester (9Ci)
CAS No.	80171-30-8
Molecular Formula	C11H11FO3
Molecular Weight	210.20 g/mol
Synonyms	Methyl 2-Fluoro-3-oxo-3-phenylbutanoate; Methyl α-Fluoro-β-oxo-β-phenylbutyrate; 2-Fluoro-3-oxo-3-phenylbutyric Acid Methyl Ester; α-Fluoro-β-oxo-benzenebutanoic Acid Methyl Ester; 80171-30-8; Fluorophenylbutanoate Ester; β-Keto Ester Fluoride Intermediate
EINECS	Contact for details

Quality Control

Every batch of our Benzenepropanoic Acid, α-Fluoro-3-Methyl-β-Oxo-, Methyl Ester (9Ci) is manufactured and tested under a strict quality management system. We guarantee high chemical purity and consistency, supported by comprehensive analytical testing including HPLC, GC, NMR, and IR spectroscopy. A detailed Certificate of Analysis (COA) is provided with each shipment, documenting identity, purity, and impurity profiles to meet the stringent requirements of our global clientele in regulated industries.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at a controlled room temperature (15-25°C). Keep away from incompatible materials such as strong bases and fluorides. The container must be kept tightly sealed to protect the contents from moisture.

Specification

Item	Specification
Appearance	White to off-white crystalline powder or solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Assay (HPLC)	≥ 98.0%
Related Substances (HPLC)	Total impurities ≤ 2.0%
Water Content (KF)	≤ 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.