Description

Methyl 4-Ethynyl-2-Fluorobenzoate is a high-purity fluorinated aromatic ester featuring a reactive ethynyl group, making it a versatile and valuable building block in advanced organic synthesis. This compound is specifically engineered for applications requiring precise molecular architecture and functional group compatibility. It is primarily utilized by research chemists and process development scientists in the pharmaceutical, agrochemical, and materials science industries for creating novel active ingredients and functional polymers.

Application

• Pharmaceutical Intermediate: A key synthon in the development of active pharmaceutical ingredients (APIs), particularly for targeted therapies and kinase inhibitors.
• Agrochemical Synthesis: Used in the research and production of novel herbicides and fungicides, leveraging the fluorine atom for enhanced bioactivity and stability.
• Material Science Precursor: Serves as a monomer or cross-linking agent in the synthesis of specialty polymers, liquid crystals, and advanced organic frameworks (MOFs/COFs).
• Click Chemistry Substrate: The terminal alkyne group enables efficient Huisgen cycloaddition (click chemistry) for bioconjugation and polymer functionalization.
• Chemical Research & Development: An essential reagent for medicinal chemistry programs and structure-activity relationship (SAR) studies in academic and industrial R&D labs.
• Fluorine Chemistry: Acts as a model compound for studying the introduction and effects of fluorine atoms in complex organic molecules.

Basic Information

Product Name	Methyl 4-Ethynyl-2-Fluorobenzoate
CAS No.	692277-73-9
Molecular Formula	C10H7FO2
Molecular Weight	178.16 g/mol
Synonyms	2-Fluoro-4-ethynylbenzoic acid methyl ester; Methyl 2-fluoro-4-ethynylbenzoate; 4-Ethynyl-2-fluorobenzoic acid methyl ester; Benzoic acid, 4-ethynyl-2-fluoro-, methyl ester; Methyl 4-ethynyl-2-fluorobenzoate; 692277-73-9; Methyl (4-ethynyl-2-fluorophenyl)formate
EINECS	Contact for details

Quality Control

Every batch of Methyl 4-Ethynyl-2-Fluorobenzoate is manufactured under strict quality management systems and undergoes rigorous analytical testing to ensure identity, purity, and consistency. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing specifications confirmed by techniques including HPLC, GC, NMR, and IR spectroscopy. Our quality commitment aligns with cGMP principles for advanced intermediates, ensuring reliability for your critical synthesis workflows.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at controlled room temperature (typically 15-25°C). Keep away from heat, sparks, and open flame. Due to the light-sensitive nature of the compound, containers should be amber glass or opaque.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Related Substances (HPLC)	Total impurities ≤ 3.0%
Melting Point	Contact for details
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 20 ppm

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