CAS 1353955-18-6

2-Pyrrolidinemethanol, 1-methyl-, 2-(4-methylbenzenesulfonate)

Description:

2-Pyrrolidinemethanol, 1-methyl-, 2-(4-methylbenzenesulfonate) is a chemical compound characterized by its pyrrolidine structure, which features a five-membered ring containing nitrogen. This compound is a derivative of pyrrolidine and includes a methanol group and a sulfonate moiety, specifically a p-toluenesulfonate, which enhances its solubility and reactivity. It is typically a white to off-white solid and is soluble in polar solvents due to the presence of the sulfonate group. The sulfonate functionality can impart significant biological activity, making this compound of interest in medicinal chemistry and drug development. Its molecular structure suggests potential applications in various fields, including pharmaceuticals and agrochemicals. The compound's properties, such as melting point, boiling point, and specific reactivity, would depend on its purity and the conditions under which it is handled. Safety data should be consulted to understand its toxicity and handling requirements, as with any chemical substance.

Formula: C₁₃H₁₉NO₃S

InChI: InChI=1S/C13H19NO3S/c1-11-5-7-13(8-6-11)18(15,16)17-10-12-4-3-9-14(12)2/h5-8,12H,3-4,9-10H2,1-2H3

InChI key: InChIKey=VKBHDSAJVINRDR-UHFFFAOYSA-N

SMILES: S(OCC1N(C)CCC1)(=O)(=O)C2=CC=C(C)C=C2

Synonyms:

• 2-Pyrrolidinemethanol, 1-methyl-, 2-(4-methylbenzenesulfonate)