Description

Methyl 4-Ethynyl-3-Fluorobenzoate is a high-purity fluorinated aromatic building block featuring both an ethynyl and an ester functional group, making it a versatile intermediate for advanced synthesis. Its molecular structure is critical for constructing complex molecules in pharmaceutical and agrochemical research, particularly for creating novel carbon-carbon bonds via cross-coupling reactions. This compound is primarily sought after by R&D chemists and process development scientists in the life sciences and advanced materials sectors for developing new active ingredients and functional polymers.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of potential drug candidates, especially in oncology and CNS therapeutic areas.
• Agrochemical Research: Used in creating novel active ingredients for crop protection products, leveraging the fluorine atom for enhanced bioavailability and stability.
• Material Science: Serves as a monomer or cross-linking agent in the development of specialty polymers and advanced organic electronic materials.
• Chemical Synthesis: Utilized in Sonogashira, Heck, and other palladium-catalyzed cross-coupling reactions to introduce the ethynylbenzoate moiety.
• Ligand & Catalyst Development: Acts as a precursor for synthesizing novel ligands used in asymmetric catalysis and metal-organic frameworks (MOFs).
• Fluorine Chemistry Studies: A valuable substrate for investigating structure-activity relationships (SAR) in fluorinated compound libraries.

Basic Information

Product Name	Methyl 4-Ethynyl-3-Fluorobenzoate
CAS No.	1459216-15-9
Molecular Formula	C10H7FO2
Molecular Weight	178.16 g/mol
Synonyms	3-Fluoro-4-ethynylbenzoic acid methyl ester; Methyl 3-fluoro-4-ethynylbenzoate; 4-Ethynyl-3-fluorobenzoic acid methyl ester; Benzoic acid, 4-ethynyl-3-fluoro-, methyl ester; Methyl 4-ethynyl-3-fluorobenzoate; 1459216-15-9; Methyl (4-ethynyl-3-fluorophenyl)formate
EINECS	Contact for details

Quality Control

Our Methyl 4-Ethynyl-3-Fluorobenzoate is manufactured under strict quality management systems. Every batch undergoes rigorous analytical testing, including HPLC, GC, NMR, and MS, to ensure high purity and consistent identity. A comprehensive Certificate of Analysis (COA) detailing purity, impurities, and physical characteristics is provided with each shipment to support your quality and regulatory requirements.

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). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent degradation.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
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.