Description

Methyl 4-(Trifluoromethylsulfonyloxy)Cyclohex-3-Enecarboxylate is a high-value, specialized chemical intermediate featuring a reactive trifluoromethanesulfonate (triflate) ester group. This compound is critical for facilitating challenging coupling and functionalization reactions in advanced organic synthesis, particularly where traditional leaving groups are insufficient. It is primarily sought after by research and development teams in the pharmaceutical and agrochemical sectors for the construction of complex molecules, including active pharmaceutical ingredients (APIs) and novel crop protection agents.

Application

• Pharmaceutical Intermediate: A key building block for the synthesis of novel drug candidates, especially in cross-coupling reactions (e.g., Suzuki, Negishi) to introduce complex cyclohexene-based scaffolds.
• Agrochemical Synthesis: Used in the research and production of advanced herbicides, fungicides, and insecticides that require the incorporation of fluorinated and cycloalkene motifs for enhanced activity and environmental profile.
• Material Science Research: Serves as a precursor for creating specialized monomers or ligands used in catalysis and advanced polymer development.
• Process Chemistry & Scale-Up: Employed in route scouting and optimization for the commercial manufacturing of fine chemicals, where its triflate group acts as a superior leaving group.
• Academic & Contract Research: A valuable reagent for methodological development in organic chemistry laboratories focused on new C-C and C-X bond-forming strategies.

Basic Information

Product Name	Methyl 4-(Trifluoromethylsulfonyloxy)Cyclohex-3-Enecarboxylate
CAS No.	1245649-70-0
Molecular Formula	C9H11F3O5S
Molecular Weight	288.24 g/mol
Synonyms	Methyl 4-(((trifluoromethyl)sulfonyl)oxy)-3-cyclohexene-1-carboxylate; 3-Cyclohexene-1-carboxylic acid, 4-(((trifluoromethyl)sulfonyl)oxy)-, methyl ester; Methyl 4-(triflyloxy)cyclohex-3-enecarboxylate; 4-(Trifluoromethanesulfonyloxy)cyclohex-3-enecarboxylic acid methyl ester; Cyclohex-3-ene-1-carboxylic acid, 4-[(trifluoromethyl)sulfonyl]oxy-, methyl ester
EINECS	Contact for details

Quality Control

Our production of Methyl 4-(Trifluoromethylsulfonyloxy)Cyclohex-3-Enecarboxylate adheres to stringent quality management protocols. Every batch is analyzed using advanced techniques including HPLC, GC, NMR, and MS to ensure identity, purity, and consistency. Certificates of Analysis (COA) detailing all critical specifications are provided and can be tailored to meet specific customer or regulatory requirements.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at controlled room temperature (15-25°C). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent degradation.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Related Substances (HPLC)	Individual impurity ≤ 1.0%; Total impurities ≤ 3.0%

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