Description

Methanesulfonic Acid, 1,1,1-Trifluoro-, 2,2-Dimethyl-4-Oxo-4H-1,3-Benzodioxin-5-Yl Ester is a specialized fluorinated methanesulfonate ester derivative, serving as a high-value synthetic intermediate. Its core value lies in its unique molecular architecture, which combines a reactive sulfonate ester group with a fluorinated moiety and a benzodioxin scaffold, enabling precise chemical transformations. This compound is primarily needed by research chemists and process development scientists in the pharmaceutical and agrochemical industries for constructing complex molecules, particularly in the synthesis of active pharmaceutical ingredients (APIs) and advanced crop protection agents.

Application

• Pharmaceutical Intermediate: Key building block in the synthesis of novel drug candidates, especially those requiring fluorinated or sulfonated motifs for enhanced bioavailability or metabolic stability.
• Agrochemical Synthesis: Used in the research and development of advanced pesticides and herbicides, where the benzodioxin and trifluoromethyl groups can contribute to specific biological activity.
• Material Science Research: Potential monomer or cross-linking agent in the development of specialty polymers with unique surface properties or chemical resistance.
• Organic Synthesis Reagent: Acts as an alkylating or sulfonylating agent in complex multi-step organic reactions, facilitating the introduction of the 2,2-dimethyl-4-oxo-4H-1,3-benzodioxin-5-yl group.
• Fluorine Chemistry Studies: Valuable substrate for investigating new fluorination methodologies or studying the influence of the trifluoromethanesulfonate group on reaction pathways.

Basic Information

Product Name	Methanesulfonic Acid, 1,1,1-Trifluoro-, 2,2-Dimethyl-4-Oxo-4H-1,3-Benzodioxin-5-Yl Ester
CAS No.	164014-40-8
Molecular Formula	C₁₂H₉F₃O₆S
Molecular Weight	338.26 g/mol
Synonyms	5-[(Trifluoromethyl)sulfonyloxy]-2,2-dimethyl-4H-1,3-benzodioxin-4-one; 2,2-Dimethyl-4-oxo-4H-1,3-benzodioxin-5-yl trifluoromethanesulfonate; 5-Triflyloxy-2,2-dimethyl-1,3-benzodioxin-4-one; Trifluoromethanesulfonic acid 2,2-dimethyl-4-oxo-4H-benzo[d][1,3]dioxin-5-yl ester; 5-(Trifluoromethanesulfonato)-2,2-dimethyl-4H-1,3-benzodioxin-4-one
EINECS	Contact for details

Quality Control

Our production of this advanced intermediate adheres to strict quality management protocols to ensure batch-to-batch consistency and purity suitable for research and development applications. Identity and purity are confirmed via modern analytical techniques including HPLC, NMR, and mass spectrometry. A comprehensive Certificate of Analysis (COA) detailing assay, impurity profile, and physical characteristics is provided with each shipment to support your quality assurance and regulatory documentation needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at controlled room temperature (15-25°C). This material is moisture-sensitive; keep the container tightly sealed under an inert atmosphere such as nitrogen or argon to prevent degradation. Isolate from strong bases and oxidizing agents.

Specification

Item	Specification
Appearance	White to off-white crystalline powder or solid
Identification (IR)	Conforms to structure
Assay (HPLC)	≥ 97.0%
Related Substances (HPLC)	Total impurities ≤ 3.0%
Water Content (KF)	≤ 0.5%

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