Description

3-Trifluoromethanesulfonyloxy-But-2-Enoic Acid Methyl Ester is a high-value fluorinated building block and reagent in advanced organic synthesis. This compound matters for its role in introducing the versatile trifluoromethanesulfonyloxy (triflate) group, enabling critical carbon-carbon and carbon-heteroatom bond-forming reactions. It is primarily needed by R&D chemists and process development teams in the pharmaceutical, agrochemical, and advanced materials industries for constructing complex molecular architectures.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of active pharmaceutical ingredients (APIs), particularly those requiring fluorinated motifs for enhanced metabolic stability and bioavailability.
• Agrochemical Synthesis: Used in the research and production of novel herbicides, fungicides, and insecticides where the triflate group acts as a superior leaving group.
• Cross-Coupling Reactions: Serves as an excellent substrate in palladium-catalyzed cross-coupling reactions, such as Suzuki, Stille, and Negishi couplings, to form new carbon-carbon bonds.
• Functional Group Transformation: Employed to install other functional groups via nucleophilic displacement of the triflate moiety.
• Material Science Research: Utilized in the development of specialty polymers and liquid crystals that incorporate fluorinated segments for unique electronic or surface properties.
• Process Chemistry & Scale-Up: A critical reagent for optimizing synthetic routes from laboratory scale to pilot plant and commercial production.

Basic Information

Product Name	3-Trifluoromethanesulfonyloxy-But-2-Enoic Acid Methyl Ester
CAS No.	133559-43-0
Molecular Formula	C7H7F3O5S
Molecular Weight	260.19 g/mol
Synonyms	Methyl 3-[(trifluoromethyl)sulfonyl]oxybut-2-enoate; Methyl 2-Butenoate, 3-[(trifluoromethyl)sulfonyl]oxy-; 3-(Trifluoromethanesulfonyloxy)-2-butenoic Acid Methyl Ester; 2-Butenoic acid, 3-[(trifluoromethyl)sulfonyl]oxy-, methyl ester; Trifluoromethanesulfonic acid 1-methoxycarbonyl-1-propen-2-yl ester
EINECS	Contact for details

Quality Control

Our 3-Trifluoromethanesulfonyloxy-But-2-Enoic Acid Methyl Ester undergoes rigorous quality testing to ensure compliance with industry standards for high-purity synthetic intermediates. We employ advanced analytical techniques including HPLC, GC, NMR, and IR spectroscopy to verify identity, purity, and consistency across batches. Certificates of Analysis (COA) detailing all specifications 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, well-ventilated area at controlled room temperature (15-25°C). Keep away from strong bases and incompatible materials. Due to its nature as a strong acid derivative/organic solvent, handle with appropriate personal protective equipment and engineering controls.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Residual Solvents (GC)	Meets ICH guidelines

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