Description

4-Methoxyphenyl 4-methylbenzenesulfonate (CAS No. 3899-91-0) is a high-purity sulfonate ester with the molecular formula C₁₄H₁₄O₄S. This compound, also known as 4-methoxyphenyl tosylate, is a versatile reagent widely used in organic synthesis and pharmaceutical research. It features a methoxyphenyl group linked to a toluenesulfonate (tosylate) moiety, making it an excellent leaving group in nucleophilic substitution reactions. With a molecular weight of 278.32 g/mol, this white to off-white crystalline solid is soluble in common organic solvents such as dichloromethane, THF, and acetone. Ideal for researchers, this product is rigorously tested for purity and stability, ensuring reliable performance in synthetic applications. Store in a cool, dry place away from light and moisture to maintain integrity.

Properties

• CAS Number: 3899-91-0
• Complexity: 357
• IUPAC Name: (4-methoxyphenyl) 4-methylbenzenesulfonate
• InChI: InChI=1S/C14H14O4S/c1-11-3-9-14(10-4-11)19(15,16)18-13-7-5-12(17-2)6-8-13/h3-10H,1-2H3
• InChI Key: PQWHXPBFMWCDEB-UHFFFAOYSA-N
• Exact Mass: 278.06128010
• Molecular Formula: C14H14O4S
• Molecular Weight: 278.33
• SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)OC
• Topological: 61
• Monoisotopic Mass: 278.06128010
• Synonyms: 4-Methoxyphenyl 4-methylbenzenesulfonate, 3899-91-0, 4-methoxyphenyl 4-methylbenzene-1-sulfonate, 4-methoxyphenyl tosylate, SCHEMBL6938753, 4-Methoxyphenyl 4-toluenesulfonate, DTXSID601239553, 4-methoxylphenyl p-toluenesulfonate, DAA89991, MFCD01231273, AKOS008680981, 4-Methoxyphenyl4-methylbenzenesulfonate, (4-methoxyphenyl) 4-methylbenzenesulfonate, EN300-7124994, Phenol, 4-methoxy-, 1-(4-methylbenzenesulfonate), Z45525287

Application

4-Methoxyphenyl 4-methylbenzenesulfonate is commonly employed as a key intermediate in the synthesis of complex organic molecules, particularly in pharmaceutical and agrochemical research. Its tosylate group serves as an excellent leaving group in nucleophilic substitution and elimination reactions, facilitating the formation of carbon-heteroatom bonds. Researchers utilize this compound in the development of novel drug candidates and fine chemicals due to its reactivity and stability under various conditions. It is also used in polymer chemistry as a monomer or cross-linking agent.

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