Description

4-(Trifluoromethanesulfonyloxy)benzaldehyde (CAS No. 17763-69-8) is a high-purity organic compound with the molecular formula C₈H₅F₃O₄S. This specialized reagent, also known by its IUPAC name (4-formylphenyl) trifluoromethanesulfonate, features a benzaldehyde core functionalized with a reactive trifluoromethanesulfonyloxy (triflate) group at the para position. The compound is characterized by its excellent leaving group properties, making it particularly valuable in nucleophilic aromatic substitution reactions and transition-metal-catalyzed cross-coupling reactions. Supplied as a crystalline solid with ≥95% purity (by HPLC or NMR), this chemical is rigorously tested for quality assurance and is ideal for pharmaceutical intermediates, material science research, and advanced organic synthesis. Proper storage at 2-8°C under inert atmosphere is recommended to maintain stability.

Properties

• CAS Number: 17763-69-8
• Complexity: 335
• IUPAC Name: (4-formylphenyl) trifluoromethanesulfonate
• InChI: InChI=1S/C8H5F3O4S/c9-8(10,11)16(13,14)15-7-3-1-6(5-12)2-4-7/h1-5H
• InChI Key: ALUJNTGOUFHAEF-UHFFFAOYSA-N
• Exact Mass: 253.98606430
• Molecular Formula: C8H5F3O4S
• Molecular Weight: 254.18
• SMILES: C1=CC(=CC=C1C=O)OS(=O)(=O)C(F)(F)F
• Topological: 68.8
• Monoisotopic Mass: 253.98606430
• Synonyms: 4-(trifluoromethanesulfonyloxy)benzaldehyde, 17763-69-8, DTXSID90446913, DTXCID90397734, 4-formylphenyl trifluoromethanesulfonate, SCHEMBL840975, DB-184873

Application

4-(Trifluoromethanesulfonyloxy)benzaldehyde serves as a versatile building block in organic synthesis, particularly for introducing aldehyde functionalities via palladium-catalyzed cross-coupling reactions. The triflate group acts as an excellent leaving group in nucleophilic aromatic substitutions, enabling efficient synthesis of biaryl aldehydes. This compound finds specialized use in pharmaceutical research for constructing drug scaffolds and in materials science for developing advanced polymers. Its reactivity also makes it valuable in synthesizing liquid crystals and electronic materials where precise functional group placement is critical.

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