CAS 1219977-30-6

Benzoic acid, 2-[(3-pyrrolidinyloxy)methyl]-, methyl ester, hydrochloride (1:1)

Description:

Benzoic acid, 2-[(3-pyrrolidinyloxy)methyl]-, methyl ester, hydrochloride (1:1) is a chemical compound characterized by its ester functional group and the presence of a pyrrolidine moiety. This compound features a benzoic acid backbone, which contributes to its aromatic properties and potential for hydrogen bonding. The pyrrolidinyloxy group enhances its solubility and reactivity, making it of interest in various chemical applications, including pharmaceuticals. As a hydrochloride salt, it is typically more stable and soluble in aqueous environments, which is advantageous for biological studies and formulations. The compound may exhibit biological activity, potentially acting as a pharmacological agent, although specific biological properties would depend on its structural interactions and the context of use. Its CAS number, 1219977-30-6, allows for precise identification in chemical databases, facilitating research and development in medicinal chemistry and related fields. Overall, this compound's unique structure and properties make it a subject of interest in synthetic and medicinal chemistry.

Formula: C₁₃H₁₇NO₃·ClH

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

InChI key: InChIKey=LBHVDQRVPKDNPM-UHFFFAOYSA-N

SMILES: C(OC1CCNC1)C2=C(C(OC)=O)C=CC=C2.Cl

Synonyms:

• Benzoic acid, 2-[(3-pyrrolidinyloxy)methyl]-, methyl ester, hydrochloride (1:1)