CAS 1353981-77-7

3-Pyrrolidinemethanol, 1-methyl-, 3-(4-methylbenzenesulfonate)

Description:

3-Pyrrolidinemethanol, 1-methyl-, 3-(4-methylbenzenesulfonate) is a chemical compound characterized by its pyrrolidine structure, which includes a five-membered ring containing nitrogen. The presence of a hydroxymethyl group and a methyl group on the nitrogen atom contributes to its solubility and reactivity. The sulfonate group, derived from 4-methylbenzenesulfonic acid, enhances the compound's ability to participate in nucleophilic substitution reactions, making it useful in various synthetic applications. This compound may exhibit properties typical of both amines and alcohols, such as hydrogen bonding capabilities, which can influence its boiling point and solubility in polar solvents. Additionally, the presence of the sulfonate group can impart ionic characteristics, potentially affecting its behavior in biological systems or as a reagent in organic synthesis. As with many organic compounds, safety data should be consulted to understand its handling and potential hazards. Overall, this compound's unique structure and functional groups make it a versatile candidate for further research and application in medicinal chemistry and material science.

Formula: C₁₃H₁₉NO₃S

InChI: InChI=1S/C13H19NO3S/c1-11-3-5-13(6-4-11)18(15,16)17-10-12-7-8-14(2)9-12/h3-6,12H,7-10H2,1-2H3

InChI key: InChIKey=VJTVJXQQQBHVNN-UHFFFAOYSA-N

SMILES: S(OCC1CCN(C)C1)(=O)(=O)C2=CC=C(C)C=C2

Synonyms:

• 3-Pyrrolidinemethanol, 1-methyl-, 3-(4-methylbenzenesulfonate)