Description

(4-Tert-butylphenyl) 4-methylbenzenesulfonate (CAS No. 7598-28-9) is a high-purity sulfonate ester with the molecular formula C₁₇H₂₀O₃S. This compound is widely utilized in organic synthesis, particularly as an intermediate or reagent in the preparation of specialty chemicals, pharmaceuticals, and advanced materials. Its well-defined structure, featuring a tert-butylphenyl group and a methylbenzenesulfonate moiety, makes it valuable for controlled reactions such as esterifications, polymerizations, or as a protecting group in multi-step syntheses.

Our product is rigorously tested for purity and consistency, ensuring optimal performance in research and industrial applications. It is supplied in sealed containers under inert conditions to maintain stability and shelf life. Suitable for use in academic, pharmaceutical, and material science laboratories, this compound is handled with strict adherence to safety protocols.

Properties

• CAS Number: 7598-28-9
• Complexity: 414
• IUPAC Name: (4-tert-butylphenyl) 4-methylbenzenesulfonate
• InChI: InChI=1S/C17H20O3S/c1-13-5-11-16(12-6-13)21(18,19)20-15-9-7-14(8-10-15)17(2,3)4/h5-12H,1-4H3
• InChI Key: SUCZYFLKGVGAFM-UHFFFAOYSA-N
• Exact Mass: 304.11331567
• Molecular Formula: C17H20O3S
• Molecular Weight: 304.4
• SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(C)(C)C
• Topological: 51.8
• Monoisotopic Mass: 304.11331567
• Synonyms: 7598-28-9, (4-tert-butylphenyl) 4-methylbenzenesulfonate, 4-tert-butylphenyl 4-methylbenzene-1-sulfonate, 4-tert-butylphenyl 4-methylbenzenesulfonate, 4-(tert-butyl)phenyl 4-methylbenzenesulfonate, NSC404101, SCHEMBL2990067, DTXSID30323491, AKOS002279112, HS-5761, NSC-404101, ST50553958, H42333, 1-Methyl-4-(4-tert-butylphenoxy)sulfonyl-benzene, EN300-12623016, Phenol, 4-(1,1-dimethylethyl)-, 4-methylbenzenesulfonate

Application

(4-Tert-butylphenyl) 4-methylbenzenesulfonate serves as a versatile reagent in organic synthesis, particularly in the development of sulfonate-based polymers and specialty esters. It is employed as a precursor in pharmaceutical intermediates or as a stabilizing agent in material science applications. Researchers also utilize it for studying reaction mechanisms involving sulfonate esters.

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