CAS 1127402-47-4

1-[(4-Methylphenyl)methyl]-3-azetidinecarboxylic acid

Description:

1-[(4-Methylphenyl)methyl]-3-azetidinecarboxylic acid, identified by its CAS number 1127402-47-4, is a chemical compound characterized by its azetidine ring structure, which is a four-membered saturated heterocyclic ring containing one nitrogen atom. This compound features a carboxylic acid functional group, contributing to its acidity and potential reactivity. The presence of a 4-methylphenyl group indicates that it has a substituted aromatic ring, which can influence its physical and chemical properties, such as solubility and stability. The molecular structure suggests that it may exhibit biological activity, making it of interest in pharmaceutical research. Additionally, the compound's stereochemistry could play a significant role in its interactions with biological targets. Overall, the characteristics of this compound, including its molecular framework and functional groups, suggest potential applications in medicinal chemistry and organic synthesis. However, specific data regarding its physical properties, such as melting point, boiling point, and solubility, would require further investigation or reference to specialized chemical databases.

Formula: C₁₂H₁₅NO₂

InChI: InChI=1S/C12H15NO2/c1-9-2-4-10(5-3-9)6-13-7-11(8-13)12(14)15/h2-5,11H,6-8H2,1H3,(H,14,15)

InChI key: InChIKey=KKIOCFJLFNVQPG-UHFFFAOYSA-N

SMILES: C(N1CC(C(O)=O)C1)C2=CC=C(C)C=C2

Synonyms:

• 3-Azetidinecarboxylic acid, 1-[(4-methylphenyl)methyl]-
• 1-[(4-Methylphenyl)methyl]-3-azetidinecarboxylic acid