Description

2-Methyl-5-(propan-2-yl)phenyl trifluoromethanesulfonate (CAS No. 63028-16-0) is a high-purity organic sulfonate ester with the molecular formula C₁₁H₁₃F₃O₃S. This compound is a valuable triflate derivative, widely used as an intermediate in organic synthesis and pharmaceutical research. Its IUPAC name is (2-methyl-5-propan-2-ylphenyl) trifluoromethanesulfonate, and it is characterized by its reactive trifluoromethanesulfonate (triflate) group, which serves as an excellent leaving group in nucleophilic substitution reactions.

This product is supplied as a clear to pale-yellow liquid or solid, depending on storage conditions, and should be handled under inert atmosphere to maintain stability. It is highly soluble in common organic solvents such as dichloromethane, THF, and acetonitrile. Suitable for use in cross-coupling reactions, catalysis, and as a precursor in the synthesis of complex molecules, this compound is a must-have for researchers in medicinal chemistry and material science.

Available in various packaging options, from milligrams to bulk quantities, our 2-Methyl-5-(propan-2-yl)phenyl trifluoromethanesulfonate meets stringent quality control standards, ensuring reproducibility in your experiments. Store in a cool, dry place away from moisture and incompatible reagents.

Properties

• CAS Number: 63028-16-0
• Complexity: 370
• IUPAC Name: (5-isopropyl-2-methyl-phenyl) trifluoromethanesulfonate
• InChI: InChI=1S/C11H13F3O3S/c1-7(2)9-5-4-8(3)10(6-9)17-18(15,16)11(12,13)14/h4-7H,1-3H3
• InChI Key: SYVLUOVNTLERIV-UHFFFAOYSA-N
• Exact Mass: 282.05374993
• Molecular Formula: C11H13F3O3S
• Molecular Weight: 282.28
• SMILES: CC1=C(C=C(C=C1)C(C)C)OS(=O)(=O)C(F)(F)F
• Topological: 51.8
• Monoisotopic Mass: 282.05374993
• Synonyms: 63028-16-0, DTXSID90518048, 2-Methyl-5-(propan-2-yl)phenyl trifluoromethanesulfonate, DTXCID10468854, 5-isopropyl-2-methylphenyl trifluoromethanesulfonate, SCHEMBL14660301, DB-087619

Application

2-Methyl-5-(propan-2-yl)phenyl trifluoromethanesulfonate is primarily used as a versatile intermediate in organic synthesis, particularly in palladium-catalyzed cross-coupling reactions such as Suzuki, Heck, and Stille couplings. Its triflate group enhances reactivity, making it ideal for constructing complex aromatic frameworks in pharmaceuticals and agrochemicals. Researchers also employ it in the development of advanced materials, including liquid crystals and polymers, due to its ability to introduce functional groups with high selectivity.

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