Description

4-tert-Butyl-2,6-Dimethylphenylsulfur Trifluoride is a specialized organosulfur trifluoride reagent used for the efficient introduction of fluorine atoms into complex organic molecules. Its value lies in its role as a potent deoxyfluorination agent, enabling the synthesis of valuable fluorinated compounds which are critical in modern pharmaceuticals and agrochemicals. This high-performance reagent is essential for R&D chemists and process development scientists in the pharmaceutical, agrochemical, and advanced materials industries seeking to incorporate fluorine for enhanced bioactivity, metabolic stability, and material properties. The compound is identified by CAS number 947725-04-4.

Application

• Pharmaceutical Intermediate Synthesis: Key reagent for the deoxyfluorination of alcohols and carbonyls to create fluorinated drug candidates, particularly in the development of CNS and oncology therapeutics.
• Agrochemical Manufacturing: Used to synthesize fluorinated pesticides and herbicides, where the fluorine atom improves lipophilicity and environmental stability.
• Fluorinated Material Precursor: Serves as a building block for specialty polymers, liquid crystals, and electronic materials requiring fluorinated aromatic units.
• Medicinal Chemistry & SAR Studies: Enables rapid fluorination for structure-activity relationship (SAR) exploration to optimize potency and pharmacokinetic profiles.
• Process Chemistry & Scale-up: Employed in route development and pilot-scale production of fluorinated active pharmaceutical ingredients (APIs).
• R&D for Novel Fluorination Methods: A valuable tool for academic and industrial research into new fluorination reactions and methodologies.

Basic Information

Product Name	4-tert-Butyl-2,6-Dimethylphenylsulfur Trifluoride
CAS No.	947725-04-4
Molecular Formula	C12H16F3S
Molecular Weight	240.31 g/mol
Synonyms	2,6-Dimethyl-4-(tert-butyl)phenylsulfur trifluoride; 4-(tert-Butyl)-2,6-dimethylbenzenesulfenyl trifluoride; 4-tert-Butyl-2,6-dimethylbenzenesulfenyl trifluoride; 4-tert-Butyl-2,6-dimethylphenyl sulfur trifluoride; 4-tert-Butyl-2,6-xylylsulfur trifluoride; BTMSF (contextual abbreviation); Deoxo-Fluor® BT (trade name analog); Sulfur Trifluoride Derivative of 4-tert-Butyl-2,6-dimethylthiophenol
EINECS	Contact for details

Quality Control

Our 4-tert-Butyl-2,6-Dimethylphenylsulfur Trifluoride is manufactured under strict quality control protocols to ensure batch-to-batch consistency and high reactivity. Each lot is supported by a comprehensive Certificate of Analysis (COA) detailing purity, identity, and impurity profiles. We adhere to cGMP standards where applicable, and our quality system is designed to meet the stringent requirements of pharmaceutical and advanced chemical synthesis. Certificates of Analysis (COA) are available upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at temperatures between 2°C and 8°C (refrigerated) to minimize decomposition and volatility. Due to its highly volatile and moisture-sensitive nature, the container must be kept tightly sealed under an inert atmosphere (argon or nitrogen) when not in use. Keep away from strong acids, bases, and oxidizing agents.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to reference spectrum
Assay (HPLC)	≥ 98.0%
Water Content (KF)	≤ 0.5%
Related Impurities (HPLC)	Total ≤ 2.0%

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