CAS 126926-38-3

methyl 3-(diethylcarbamoyl)benzoate

Description:

Methyl 3-(diethylcarbamoyl)benzoate is an organic compound characterized by its ester functional group and a substituted benzoate structure. It features a methyl ester group attached to a benzene ring that has a diethylcarbamoyl substituent at the meta position. This compound is typically a colorless to pale yellow liquid or solid, depending on its purity and specific conditions. It is soluble in organic solvents, which is common for esters, but may have limited solubility in water due to its hydrophobic aromatic structure. The presence of the diethylcarbamoyl group suggests potential applications in medicinal chemistry, particularly in drug design, as it may influence biological activity and solubility. Additionally, the compound may exhibit specific reactivity patterns typical of esters and amides, making it useful in various synthetic pathways. Safety data should be consulted for handling and storage, as with all chemical substances, to ensure proper precautions are taken.

Formula: C₁₃H₁₇NO₃

InChI: InChI=1/C13H17NO3/c1-4-14(5-2)12(15)10-7-6-8-11(9-10)13(16)17-3/h6-9H,4-5H2,1-3H3

SMILES: CCN(CC)C(=O)c1cccc(c1)C(=O)OC

Synonyms:

• Benzoic acid, 3-((diethylamino)carbonyl)-, methyl ester
• Methyl 3-((diethylamino)carbonyl)benzoate

Methyl 3-(diethylcarbamoyl)benzoate

CAS: 126926-38-3

Formula: C₁₃H₁₇NO₃

Molecular weight: 235.2790

Ref: IN-DA009EY4

3-[(Diethylamino)carbonyl]benzoic Acid Methyl Ester

Controlled Product

CAS: 126926-38-3

Applications 3-[(Diethylamino)carbonyl]benzoic acid methyl ester is used in the synthetic preparation of internal standards in the determination of carboxylic acid metabolites of N,N-diethyl-m-toluamide compounds in rat urine.
References Taylor, W. & Spooner, R.: J. Agr. Food Chem., 38, 1422 (1990)

Formula: C₁₃H₁₇NO₃

Color and Shape: Neat

Molecular weight: 235.28

Ref: TR-D443730

3-[(Diethylamino)carbonyl]benzoic-d10 Acid Methyl Ester

Controlled Product

CAS: 126926-38-3

Formula: C₃₉H₅₆ClN₃O₁₀S

Color and Shape: Neat

Molecular weight: 794.394

Ref: TR-D443732