Description

4-[[(Trifluoromethyl)Sulfonyl]Oxy]-1,3-Benzenedicarboxylic Acid Dimethyl Ester is a high-value, multifunctional chemical intermediate characterized by its unique trifluoromethanesulfonate (triflate) ester group. This compound matters for its role as a versatile building block in advanced organic synthesis, particularly in the formation of complex molecules where its excellent leaving group properties are leveraged. It is primarily needed by R&D and production chemists in the pharmaceutical, agrochemical, and specialty materials industries for constructing active ingredients and functional polymers.

Application

• Pharmaceutical Intermediate: Key building block in the synthesis of active pharmaceutical ingredients (APIs), especially for introducing aromatic carboxylic acid derivatives under mild conditions.
• Agrochemical Synthesis: Used in the development of advanced herbicides, fungicides, and insecticides that require the incorporation of fluorinated aromatic systems.
• Ligand and Catalyst Preparation: Serves as a precursor for creating specialized ligands and organometallic catalysts used in cross-coupling reactions.
• Polymer and Material Science: Employed in the synthesis of monomers for high-performance polymers, including polyesters and polyamides with enhanced thermal and chemical resistance.
• Organic Synthesis Reagent: Acts as an effective arylating or acylating agent in nucleophilic substitution reactions due to the reactivity of the triflate group.
• Fluorine Chemistry Research: A valuable compound for academic and industrial research focused on incorporating trifluoromethylsulfonyl motifs into novel molecular architectures.

Basic Information

Product Name	4-[[(Trifluoromethyl)Sulfonyl]Oxy]-1,3-Benzenedicarboxylic Acid Dimethyl Ester
CAS No.	377082-05-8
Molecular Formula	C12H9F3O8S
Molecular Weight	370.25 g/mol
Synonyms	Dimethyl 4-(((trifluoromethyl)sulfonyl)oxy)isophthalate; 4-(Trifluoromethanesulfonyloxy)isophthalic Acid Dimethyl Ester; 4-(Triflyloxy)isophthalic Acid Dimethyl Ester; 4-OTf-Isophthalic Acid Dimethyl Ester; 1,3-Benzenedicarboxylic Acid, 4-[[(trifluoromethyl)sulfonyl]oxy]-, Dimethyl Ester; Isophthalic Acid Derivative, Triflate Ester
EINECS	Contact for details

Quality Control

Our 4-[[(Trifluoromethyl)Sulfonyl]Oxy]-1,3-Benzenedicarboxylic Acid Dimethyl Ester is produced under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, NMR, and GC-MS, to ensure high chemical purity and consistent performance. Certificates of Analysis (COA) detailing identity, purity, and impurity profiles are provided with every shipment to support your quality assurance and regulatory compliance needs.

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.