Description

(4-Bromophenyl) 4-methylbenzenesulfonate (CAS No. 6324-15-8) is a high-purity sulfonate ester compound with the molecular formula C₁₃H₁₁BrO₃S. This specialized organic intermediate is widely utilized in pharmaceutical synthesis, material science research, and as a key reagent in cross-coupling reactions. The compound features a bromophenyl group linked to a toluenesulfonate moiety, making it highly reactive for nucleophilic substitution and other organic transformations. Our product is synthesized under strict quality control measures, ensuring ≥98% purity by HPLC analysis, and is supplied as a white to off-white crystalline powder. Each batch undergoes rigorous analytical testing (NMR, MS, FTIR) to guarantee consistency and performance in demanding laboratory applications.

Properties

• CAS Number: 6324-15-8
• Complexity: 347
• IUPAC Name: (4-bromophenyl) 4-methylbenzenesulfonate
• InChI: InChI=1S/C13H11BrO3S/c1-10-2-8-13(9-3-10)18(15,16)17-12-6-4-11(14)5-7-12/h2-9H,1H3
• InChI Key: XXDAIEWTMDQCEL-UHFFFAOYSA-N
• Exact Mass: 325.96123
• Molecular Formula: C13H11BrO3S
• Molecular Weight: 327.20
• SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)Br
• Topological: 51.8
• Monoisotopic Mass: 325.96123
• Synonyms: 6324-15-8, (4-bromophenyl) 4-methylbenzenesulfonate, NSC 29106, 4-BROMOPHENYL 4-METHYLBENZENE-1-SULFONATE, Phenol, p-bromo-, p-toluene-sulfonate, NSC29106, 1-bromo-4-(4-methylphenyl)sulfonyloxy-benzene, p-bromophenyl p-toluenesulfonate, SCHEMBL4195648, 4-bromophenyl 4-toluenesulfonate, DTXSID80283011, NSC-29106, F70453, EN300-7245321

(4-Bromophenyl) 4-methylbenzenesulfonate serves as a versatile building block in medicinal chemistry for developing novel therapeutic agents. Researchers employ this compound in Suzuki-Miyaura cross-coupling reactions to create biphenyl derivatives with potential pharmacological activity. It also finds use as a protecting group reagent in multi-step organic syntheses and as a precursor for liquid crystal materials. The bromine substituent makes it particularly valuable for palladium-catalyzed coupling reactions in drug discovery programs.

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