CAS 1220034-69-4

Benzoic acid, 4-(3-pyrrolidinyloxy)-, phenylmethyl ester, hydrochloride (1:1)

Description:

Benzoic acid, 4-(3-pyrrolidinyloxy)-, phenylmethyl ester, hydrochloride (1:1) is a chemical compound characterized by its complex structure, which includes a benzoic acid moiety, a pyrrolidine ring, and a phenylmethyl ester group. This compound typically appears as a white to off-white solid and is soluble in polar solvents, reflecting its ionic nature due to the hydrochloride salt form. The presence of the pyrrolidine ring suggests potential biological activity, as pyrrolidine derivatives are often associated with various pharmacological properties. The ester functional group indicates that it may undergo hydrolysis under certain conditions, releasing benzoic acid and the corresponding alcohol. Its hydrochloride form enhances solubility and stability, making it suitable for various applications in medicinal chemistry and drug formulation. As with many compounds, safety data should be consulted, as it may exhibit irritant properties or other health hazards. Overall, this compound's unique structure and properties make it of interest in both research and potential therapeutic applications.

Formula: C₁₈H₁₉NO₃·ClH

InChI: InChI=1S/C18H19NO3.ClH/c20-18(21-13-14-4-2-1-3-5-14)15-6-8-16(9-7-15)22-17-10-11-19-12-17;/h1-9,17,19H,10-13H2;1H

InChI key: InChIKey=ACGHNNUCKURNNE-UHFFFAOYSA-N

SMILES: O(C1=CC=C(C(OCC2=CC=CC=C2)=O)C=C1)C3CCNC3.Cl

Synonyms:

• Benzoic acid, 4-(3-pyrrolidinyloxy)-, phenylmethyl ester, hydrochloride (1:1)