CAS 79069-38-8

2-(Acetylamino)-5-(1-methylethyl)benzoic acid

Description:

2-(Acetylamino)-5-(1-methylethyl)benzoic acid, with the CAS number 79069-38-8, is an organic compound that belongs to the class of benzoic acids. This substance features an acetylamino group and an isopropyl substituent on the benzene ring, which contributes to its unique chemical properties. It is characterized by its ability to form hydrogen bonds due to the presence of both the carboxylic acid and the acetylamino functional groups, which can influence its solubility and reactivity. The compound is likely to exhibit moderate solubility in polar solvents, while its hydrophobic isopropyl group may enhance its lipophilicity. Additionally, it may participate in various chemical reactions typical of carboxylic acids and amides, such as esterification or amidation. The presence of these functional groups suggests potential applications in pharmaceuticals or as intermediates in organic synthesis. However, specific safety and handling guidelines should be followed, as with all chemical substances, to ensure safe usage in laboratory or industrial settings.

Formula: C₁₂H₁₅NO₃

InChI: InChI=1S/C12H15NO3/c1-7(2)9-4-5-11(13-8(3)14)10(6-9)12(15)16/h4-7H,1-3H3,(H,13,14)(H,15,16)

InChI key: InChIKey=AXRIWZGQNFESSB-UHFFFAOYSA-N

SMILES: C(O)(=O)C1=C(NC(C)=O)C=CC(C(C)C)=C1

Synonyms:

• 2-(Acetylamino)-5-(1-methylethyl)benzoic acid
• 2-Acetamido-5-(propan-2-yl)benzoic acid
• 2-(Acetylamino)-5-isopropylbenzoic acid
• Benzoic acid, 2-(acetylamino)-5-(1-methylethyl)-