Description

2,3,4,5,6-Pentafluorophenyl 4-(tert-Butyl)Benzenesulphonate is a specialized organofluorine sulfonate ester, a high-value building block in advanced organic synthesis. This compound is critical for researchers and manufacturers requiring precise, site-specific functionalization in complex molecular architectures. It is primarily utilized in the development of pharmaceuticals, agrochemicals, and advanced materials where the introduction of a sulfonate leaving group under mild conditions is essential.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of active pharmaceutical ingredients (APIs), particularly in nucleophilic aromatic substitution reactions to create novel drug candidates.
• Agrochemical Synthesis: Used in the development of next-generation herbicides, fungicides, and pesticides that require fluorinated aromatic components for enhanced bioactivity and environmental stability.
• Ligand & Catalyst Development: Serves as a precursor for creating specialized ligands and catalysts used in cross-coupling reactions and other transition metal-catalyzed processes.
• Material Science: Employed in the synthesis of monomers for specialty polymers, liquid crystals, and organic electronic materials where fluorinated groups impart desired physical properties.
• Chemical Biology & Proteomics: Acts as a reagent for bioconjugation and labeling strategies, enabling the study of protein function and interaction.
• Custom Synthesis & R&D: A valuable tool for medicinal chemistry and process research in contract research and manufacturing organizations (CROs/CMOs).

Basic Information

Product Name	2,3,4,5,6-Pentafluorophenyl 4-(tert-Butyl)Benzenesulphonate
CAS No.	885950-38-9
Molecular Formula	C₁₆H₁₃F₅O₃S
Molecular Weight	380.33 g/mol
Synonyms	4-(tert-Butyl)benzenesulfonic acid pentafluorophenyl ester; p-Toluenesulfonic acid pentafluorophenyl ester, 4-tert-butyl derivative; 4-tert-Butylphenyl pentafluorophenyl sulfonate; 4-(1,1-Dimethylethyl)benzenesulfonic acid 2,3,4,5,6-pentafluorophenyl ester; Pentafluorophenyl 4-tert-butylbenzenesulfonate; PFPTBS; Pentafluorophenyl tosylate, 4-tert-butyl-
EINECS	Contact for details

Quality Control

Our production of 2,3,4,5,6-Pentafluorophenyl 4-(tert-Butyl)Benzenesulphonate adheres to stringent quality management protocols. Every batch undergoes comprehensive analytical testing, including HPLC for purity, NMR for structural confirmation, and Karl Fischer titration for moisture content, to ensure consistency and reliability for your critical applications. Certificates of Analysis (COA) detailing all specifications are provided with each shipment.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at room temperature (15-25°C). This material 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. Keep away from heat and incompatible materials.

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%
Residual Solvents (GC)	Meets ICH guidelines

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