CAS 1220037-68-2

Benzoic acid, 4-methoxy-, 3-pyrrolidinylmethyl ester, hydrochloride (1:1)

Description:

Benzoic acid, 4-methoxy-, 3-pyrrolidinylmethyl ester, hydrochloride (1:1), with the CAS number 1220037-68-2, is a chemical compound characterized by its ester functional group and the presence of a pyrrolidine moiety. This compound typically exhibits properties associated with both benzoic acid derivatives and pyrrolidine-based structures. It is likely to be a white to off-white crystalline solid, soluble in polar solvents such as water and alcohols due to the presence of the hydrochloride salt form, which enhances its solubility. The methoxy group contributes to its lipophilicity, while the pyrrolidinylmethyl group may influence its biological activity and pharmacokinetics. As a hydrochloride salt, it may exhibit improved stability and bioavailability compared to its free base form. This compound may be of interest in pharmaceutical research, particularly in the development of drugs targeting specific biological pathways, given the structural features that suggest potential interactions with biological systems. Safety and handling precautions should be observed, as with all chemical substances, due to potential toxicity or reactivity.

Formula: C₁₃H₁₈ClNO₃

InChI: InChI=1S/C13H17NO3.ClH/c1-16-12-4-2-11(3-5-12)13(15)17-9-10-6-7-14-8-10;/h2-5,10,14H,6-9H2,1H3;1H

InChI key: InChIKey=GAOKRRDYGBTACT-UHFFFAOYSA-N

SMILES: C(OCC1CCNC1)(=O)C2=CC=C(OC)C=C2.Cl

Synonyms:

• Benzoic acid, 4-methoxy-, 3-pyrrolidinylmethyl ester, hydrochloride (1:1)
• PYRROLIDIN-3-YLMETHYL 4-METHOXYBENZOATE HYDROCHLORIDE
• 3-Pyrrolidinylmethyl 4-methoxybenzoatehydrochloride