Description

2-Chlorophenyl 4-methylbenzenesulfonate (CAS No. 599-76-8) is a high-purity sulfonate ester with the molecular formula C₁₃H₁₁ClO₃S. This specialized organic compound is widely utilized in synthetic chemistry and pharmaceutical research due to its role as an intermediate in the synthesis of complex molecules. Its IUPAC name, (2-chlorophenyl) 4-methylbenzenesulfonate, reflects its precise structural configuration, featuring a chlorophenyl group and a toluenesulfonate moiety. Ideal for researchers and scientists, this product is rigorously tested for purity and stability, ensuring reliable performance in sensitive applications. Available in various quantities, it is packaged under controlled conditions to maintain integrity.

Properties

• CAS Number: 599-76-8
• Complexity: 355
• IUPAC Name: (2-chlorophenyl) 4-methylbenzenesulfonate
• InChI: InChI=1S/C13H11ClO3S/c1-10-6-8-11(9-7-10)18(15,16)17-13-5-3-2-4-12(13)14/h2-9H,1H3
• InChI Key: BYUBPRJLQIPXQT-UHFFFAOYSA-N
• Exact Mass: 282.0117431
• Molecular Formula: C13H11ClO3S
• Molecular Weight: 282.74
• SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2Cl
• Topological: 51.8
• Monoisotopic Mass: 282.0117431
• Synonyms: 2-chlorophenyl 4-methylbenzenesulfonate, 599-76-8, 2-CHLOROPHENYL 4-METHYLBENZENE-1-SULFONATE, (2-chlorophenyl) 4-methylbenzenesulfonate, NSC6173, chlorophenol tosylate, SCHEMBL2236990, 2-chlorophenyl p-toluenesulfonate, 2-chlorophenyl 4-toluenesulfonate, DTXSID70278118, NSC-6173, E87356, EN300-7279800

Application

2-Chlorophenyl 4-methylbenzenesulfonate serves as a versatile intermediate in organic synthesis, particularly in the development of sulfonamide derivatives and other pharmacologically active compounds. It is employed in cross-coupling reactions and as a precursor in the preparation of specialty chemicals. Researchers also utilize it in studying reaction mechanisms involving sulfonate esters. Its stability and reactivity make it valuable for controlled functionalization in complex molecular architectures.

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