Description

Methyl 3-Ethynyl-4-Fluorobenzoate is a high-purity, advanced pharmaceutical intermediate characterized by its unique ethynyl and fluoro-substituted benzoate structure. This compound is critical for the synthesis of complex active pharmaceutical ingredients (APIs), particularly in the development of targeted therapies. It is primarily utilized by research institutions and manufacturers in the pharmaceutical, agrochemical, and specialty chemical industries engaged in innovative drug discovery and process chemistry.

Application

• Pharmaceutical Intermediate: A key building block in the synthesis of novel small-molecule drugs, especially kinase inhibitors and other targeted cancer therapeutics.
• Agrochemical Research: Serves as a precursor in the development of new-generation herbicides and pesticides with enhanced efficacy.
• Material Science: Used in the research and production of advanced polymers and organic electronic materials due to its conjugated ethynyl group.
• Chemical Synthesis: An important reagent for Sonogashira coupling and other palladium-catalyzed cross-coupling reactions in complex organic synthesis.
• Fluorine Chemistry Studies: Employed as a model compound in research exploring the effects of fluorine substitution on molecular properties and reactivity.

Basic Information

Product Name	Methyl 3-Ethynyl-4-Fluorobenzoate
CAS No.	1263286-05-0
Molecular Formula	C10H7FO2
Molecular Weight	178.16 g/mol
Synonyms	3-Ethynyl-4-fluorobenzoic acid methyl ester; Methyl 3-ethynyl-4-fluorobenzoate; 4-Fluoro-3-ethynylbenzoic acid methyl ester; Benzoic acid, 3-ethynyl-4-fluoro-, methyl ester; Methyl 4-fluoro-3-ethynylbenzoate
EINECS	Contact for details

Quality Control

Our Methyl 3-Ethynyl-4-Fluorobenzoate is manufactured under strict quality management systems. Each batch undergoes comprehensive analytical testing, including HPLC, GC, NMR, and FTIR, to ensure identity, purity, and consistency. We provide full traceability and detailed Certificates of Analysis (COA) for every shipment, supporting compliance with cGMP and ICH Q7 guidelines for pharmaceutical intermediates.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated place at a controlled room temperature (15-25°C). This product is hygroscopic (moisture-sensitive) and light-sensitive; therefore, containers must be kept sealed under an inert atmosphere (e.g., nitrogen or argon) when not in use 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)	≥ 98.0%
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.