CAS 20320-37-0

2-(dimethylcarbamoyl)benzoic acid

Description:

2-(Dimethylcarbamoyl)benzoic acid, with the CAS number 20320-37-0, is an organic compound characterized by its benzoic acid structure substituted with a dimethylcarbamoyl group at the ortho position. This compound typically appears as a white to off-white solid and is soluble in polar organic solvents. Its molecular structure features both a carboxylic acid functional group and a dimethylcarbamoyl moiety, which can influence its reactivity and interactions. The presence of the dimethylcarbamoyl group may enhance its ability to participate in hydrogen bonding, affecting its solubility and potential biological activity. This compound may be of interest in pharmaceutical research and development due to its potential applications in drug design or as an intermediate in organic synthesis. Additionally, its properties can be influenced by factors such as pH and temperature, which may affect its stability and reactivity in various chemical environments. Overall, 2-(dimethylcarbamoyl)benzoic acid represents a versatile compound with potential utility in various chemical and biological contexts.

Formula: C₁₀H₁₁NO₃

InChI: InChI=1/C10H11NO3/c1-11(2)9(12)7-5-3-4-6-8(7)10(13)14/h3-6H,1-2H3,(H,13,14)

SMILES: CN(C)C(=O)c1ccccc1C(=O)O

Synonyms:

• 2-[(Dimethylamino)Carbonyl]Benzoic Acid
• Benzoic Acid, 2-[(Dimethylamino)Carbonyl]-

2-(Dimethylcarbamoyl)benzoic acid

CAS: 20320-37-0

Dimethylcarbamoylbenzoic acid is an ionic compound that can be categorized as a carboxylic acid. It has been shown to be a competitive inhibitor of acetonitrile-catalysed reactions, with the rate constant (k) of 1.02 x 10 M-1s-1. Dimethylcarbamoylbenzoic acid has also been shown to be an intramolecular nucleophile and is therefore classified as a stepwise reaction. The solvents used in this reaction are ethanol and acetonitrile, which have nonionized and ionized forms respectively.

Formula: C₁₀H₁₁NO₃

Purity: Min. 95%

Molecular weight: 193.2 g/mol

Ref: 3D-VAA32037