CAS 1227268-82-7

3-[1-Cyano-2-methyl-1-(1-methylethyl)propyl]benzoic acid

Description:

3-[1-Cyano-2-methyl-1-(1-methylethyl)propyl]benzoic acid, identified by its CAS number 1227268-82-7, is a chemical compound characterized by its complex structure, which includes a benzoic acid moiety and a cyano-substituted alkyl chain. This compound typically exhibits properties associated with both aromatic and aliphatic systems, contributing to its potential reactivity and solubility characteristics. The presence of the cyano group suggests that it may participate in nucleophilic reactions, while the benzoic acid component indicates acidic properties, allowing for potential interactions in various chemical environments. Its molecular structure may also influence its physical properties, such as melting and boiling points, as well as its solubility in organic solvents. Additionally, the compound's functional groups may impart specific biological activities, making it of interest in pharmaceutical and agrochemical research. Overall, the unique combination of functional groups in this compound suggests a versatile chemical behavior, suitable for further exploration in synthetic and applied chemistry contexts.

Formula: C₁₅H₁₉NO₂

InChI: InChI=1S/C15H19NO2/c1-10(2)15(9-16,11(3)4)13-7-5-6-12(8-13)14(17)18/h5-8,10-11H,1-4H3,(H,17,18)

InChI key: InChIKey=XQFRYVWYMHNMTL-UHFFFAOYSA-N

SMILES: C(C(C)C)(C(C)C)(C#N)C1=CC(C(O)=O)=CC=C1

Synonyms:

• Benzoic acid, 3-[1-cyano-2-methyl-1-(1-methylethyl)propyl]-
• 3-[1-Cyano-2-methyl-1-(1-methylethyl)propyl]benzoic acid