CAS 58456-48-7

pent-4-yn-2-yl 4-methylbenzenesulfonate

Description:

Pent-4-yn-2-yl 4-methylbenzenesulfonate, with the CAS number 58456-48-7, is an organic compound characterized by its sulfonate ester functional group. This compound features a pent-4-yne backbone, which is a five-carbon chain with a triple bond located at the fourth carbon, contributing to its alkyne properties. The presence of the 4-methylbenzenesulfonate moiety indicates that it has a methyl group attached to a benzene ring, which is further substituted with a sulfonate group, enhancing its reactivity and solubility in polar solvents. The sulfonate group typically increases the compound's ability to participate in nucleophilic substitution reactions, making it useful in various synthetic applications. Additionally, the alkyne structure may allow for further functionalization through reactions such as cycloaddition or hydrogenation. Overall, pent-4-yn-2-yl 4-methylbenzenesulfonate is a versatile compound in organic synthesis, particularly in the development of more complex molecules.

Formula: C₁₂H₁₄O₃S

InChI: InChI=1/C12H14O3S/c1-4-5-11(3)15-16(13,14)12-8-6-10(2)7-9-12/h1,6-9,11H,5H2,2-3H3

SMILES: C#CCC(C)OS(=O)(=O)c1ccc(C)cc1

4-Pentyn-2-ol 4-Methylbenzenesulfonate

Controlled Product

CAS: 58456-48-7

Applications 4-Pentyn-2-ol 4-Methylbenzenesulfonate is an intermediate in the synthesis of 3-Penten-1-yne (P227430), a compound used in the preparation of aliphatic and terminal alkynes.
References Shaw, M.H., et al.: J. Am. Chem. Soc., 135, 4992 (2013); Schuster, D.I., et al.: J. Am. Chem. Soc., 107, 7045 (1985);

Formula: C₁₂H₁₄O₃S

Color and Shape: Neat

Molecular weight: 238.3

Ref: TR-P285010