Description

2-Phenylethyl 4-methylbenzenesulfonate (CAS No. 4455-09-8) is a high-purity organic sulfonate ester with the molecular formula C₁₅H₁₆O₃S. This compound, also known as phenethyl tosylate, is widely utilized in synthetic organic chemistry as a versatile reagent for alkylation and protecting group strategies. Its structure features a phenethyl group bonded to a tosylate moiety, making it an excellent leaving group in nucleophilic substitution reactions. With a molecular weight of 276.35 g/mol, this white to off-white crystalline solid is soluble in common organic solvents such as dichloromethane, THF, and acetone. Ideal for laboratory and research applications, our product is rigorously tested to ensure ≥95% purity (HPLC) and is supplied in secure, chemically resistant packaging to maintain stability.

Properties

• CAS Number: 4455-09-8
• Complexity: 344
• IUPAC Name: 2-phenylethyl 4-methylbenzenesulfonate
• InChI: InChI=1S/C15H16O3S/c1-13-7-9-15(10-8-13)19(16,17)18-12-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
• InChI Key: CVPPUZPZPFOFPK-UHFFFAOYSA-N
• Exact Mass: 276.08201554
• Molecular Formula: C15H16O3S
• Molecular Weight: 276.4
• SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCCC2=CC=CC=C2
• Topological: 51.8
• Monoisotopic Mass: 276.08201554
• Synonyms: 4455-09-8, 2-Phenylethyl 4-methylbenzenesulfonate, p-Toluenesulfonic acid phenethyl ester, phenethyl 4-methylbenzenesulfonate, PHENETHYL TOSYLATE, Phenethyl p-Toluenesulfonate, 2-Phenylethyl p-Toluenesulfonate, 2-phenylethyl 4-methylbenzene-1-sulfonate, 2-phenylethyl tosylate, C15H16O3S, Phenylethyl Tosylate, SCHEMBL241683, phenethyl4-methylbenzenesulfonate, CVPPUZPZPFOFPK-UHFFFAOYSA-, DTXSID80196218, BBL022909, MFCD00059322, NSC142250, SBB006308, STL065671, AKOS000499138, NSC 142250, NSC-142250, toluene-4-sulfonic acid phenethyl ester, 2-Phenylethyl 4-methylbenzenesulfonate #, NCGC00161069-01, NCGC00161069-02, ST024143, VS-07277, p-Toluenesulfonic Acid 2-Phenylethyl Ester, DB-051228, CS-0153015, T0270, D82117, EN300-7235630, InChI=1/C15H16O3S/c1-13-7-9-15(10-8-13)19(16,17)18-12-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3

Application

2-Phenylethyl 4-methylbenzenesulfonate is primarily employed as an intermediate in the synthesis of pharmaceuticals, agrochemicals, and specialty materials. Its tosylate group serves as an effective leaving group in SN₂ reactions, enabling the introduction of phenethyl motifs into target molecules. Researchers also use it as a protecting group for alcohols or as a precursor in the preparation of ionic liquids. Additionally, it finds utility in polymer chemistry for modifying functional groups in resins and monomers.

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