Description

Difluoromethyl 4-methylbenzenesulfonate (CAS No. 14277-20-4) is a high-purity sulfonate ester with the molecular formula C₈H₈F₂O₃S. This specialized chemical compound is widely utilized in organic synthesis, pharmaceutical research, and material science due to its unique reactivity as a difluoromethylating agent. The compound features a 4-methylbenzenesulfonate (tosylate) group, which enhances its stability and handling properties while maintaining excellent leaving-group characteristics for nucleophilic substitution reactions. Our product is rigorously tested to ensure ≥95% purity (by GC or HPLC) and is supplied in sealed, light-resistant containers under inert atmosphere to prevent degradation. Ideal for researchers developing fluorinated compounds, this reagent offers precise control in introducing the difluoromethyl moiety into target molecules.

Key applications include: synthesis of fluorinated pharmaceuticals, agrochemicals, and advanced materials; cross-coupling reactions; and as a building block for complex organic frameworks. Store in a cool, dry place at 2-8°C under inert conditions. For research use only; not for drug or household use.

Properties

• CAS Number: 14277-20-4
• Complexity: 263
• IUPAC Name: difluoromethyl 4-methylbenzenesulfonate
• InChI: InChI=1S/C8H8F2O3S/c1-6-2-4-7(5-3-6)14(11,12)13-8(9)10/h2-5,8H,1H3
• InChI Key: ZNMVZAWTNZJSGF-UHFFFAOYSA-N
• Exact Mass: 222.01622161
• Molecular Formula: C8H8F2O3S
• Molecular Weight: 222.21
• SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC(F)F
• Topological: 51.8
• Monoisotopic Mass: 222.01622161
• Synonyms: difluoromethyl 4-methylbenzenesulfonate, 14277-20-4, Methanol, 1,1-difluoro-, 1-(4-methylbenzenesulfonate), SCHEMBL872063, ZNMVZAWTNZJSGF-UHFFFAOYSA-N, DB-430524, 4-methyl-benzenesulfonic acid difluoro-methyl ester

Application

Difluoromethyl 4-methylbenzenesulfonate serves as a versatile reagent in medicinal chemistry for the incorporation of difluoromethyl groups into bioactive molecules, enhancing metabolic stability and lipophilicity. It is particularly valuable in the synthesis of fluorinated analogs of pharmaceuticals and agrochemicals where the difluoromethyl group modulates electronic and steric properties. The compound also finds use in materials science for the preparation of fluorinated polymers with tailored surface characteristics.

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.