Description

3-Tert-butylphenyl trifluoromethanesulfonate (CAS No. 201851-06-1) is a high-purity organosulfur compound with the molecular formula C₁₁H₁₃F₃O₃S. This chemical is widely utilized in organic synthesis and pharmaceutical research due to its role as an effective triflate ester. The compound features a tert-butylphenyl group coupled with a trifluoromethanesulfonate moiety, offering excellent reactivity in cross-coupling reactions, such as Suzuki-Miyaura and Buchwald-Hartwig reactions. Its stability and solubility in common organic solvents make it ideal for laboratory-scale and industrial applications. Packaged under inert conditions to ensure longevity and purity, this product is rigorously tested via GC/MS, NMR, and HPLC to meet the highest standards for research and development.

Properties

• CAS Number: 201851-06-1
• Complexity: 376
• IUPAC Name: (3-tert-butylphenyl) trifluoromethanesulfonate
• InChI: InChI=1S/C11H13F3O3S/c1-10(2,3)8-5-4-6-9(7-8)17-18(15,16)11(12,13)14/h4-7H,1-3H3
• InChI Key: QNAXXQCFQHHYTO-UHFFFAOYSA-N
• Exact Mass: 282.05374993
• Molecular Formula: C11H13F3O3S
• Molecular Weight: 282.28
• SMILES: CC(C)(C)C1=CC(=CC=C1)OS(=O)(=O)C(F)(F)F
• Topological: 51.8
• Monoisotopic Mass: 282.05374993
• Synonyms: 3-tert-butylphenyl trifluoromethanesulfonate, 201851-06-1, m-tert-Butylphenyl trifluoromethanesulfonate, SCHEMBL2349455, HS-7513, DB-294489, 3-tert-Butylphenyl trifluoromethane sulfonate, trifluoromethanesulfonic acid 3-tert-butyl-phenyl ester, trifluoromethanesulfonic acid, 3-tertbutyl-phenyl ester, Trifluoro-methanesulfonic acid 3-tert-butyl-phenyl ester, trifluoromethanesulfonic acid, 3-tert-butyl-phenyl ester

Application

3-Tert-butylphenyl trifluoromethanesulfonate is primarily used as a versatile intermediate in organic synthesis, particularly in palladium-catalyzed coupling reactions. It serves as a key precursor in the development of pharmaceuticals, agrochemicals, and advanced materials. Researchers value its ability to introduce the triflate leaving group in complex molecular architectures. Additionally, it finds utility in the synthesis of liquid crystals and specialty polymers. Its robust reactivity makes it indispensable in medicinal chemistry and material science applications.

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