CAS 72236-23-8

3-[(Diethylamino)carbonyl]benzoic acid

Description:

3-[(Diethylamino)carbonyl]benzoic acid, with the CAS number 72236-23-8, is an organic compound characterized by its aromatic structure and functional groups. It features a benzoic acid moiety, which contributes to its acidity and potential for forming salts or esters. The presence of the diethylamino group enhances its basicity and solubility in organic solvents, making it useful in various chemical applications. This compound typically exhibits moderate to high stability under standard conditions, although it may be sensitive to strong acids or bases. Its molecular structure allows for potential interactions in biological systems, which can be explored for pharmaceutical applications. The compound may also participate in various chemical reactions, such as acylation or amidation, due to the reactivity of the carbonyl group. Overall, 3-[(Diethylamino)carbonyl]benzoic acid is notable for its dual functionality as both an acid and a base, making it a versatile building block in organic synthesis and medicinal chemistry.

Formula: C₁₂H₁₅NO₃

InChI: InChI=1S/C12H15NO3/c1-3-13(4-2)11(14)9-6-5-7-10(8-9)12(15)16/h5-8H,3-4H2,1-2H3,(H,15,16)

InChI key: InChIKey=PXXLQQDIFVPNMP-UHFFFAOYSA-N

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

Synonyms:

• Benzoic acid, 3-[(diethylamino)carbonyl]-
• 3-[(Diethylamino)carbonyl]benzoic acid

3-(Diethylcarbamoyl)benzoic acid

CAS: 72236-23-8

Formula: C₁₂H₁₅NO₃

Purity: 99%

Color and Shape: Solid

Molecular weight: 221.2524

Ref: IN-DA005J3U

DCBA

CAS: 72236-23-8

DCBA

Formula: C₁₂H₁₅NO₃

Purity: ≥98%

Molecular weight: 221.25

Ref: 54-BUP11858

DEET ω-Carboxylic Acid

Controlled Product

CAS: 72236-23-8

Stability Hygroscopic
Applications DEET ω-Carboxylic Acid is a metabolite of DEET (D228500), an insect repellant commonly used to prevent contact with mosquitoes.
References Constantino, L. & Iley, J.: Xenobiotica, 29, 409 (1999); Syed, Z. & Leal, W.: P. Natl. Acad. Sci. USA, 105, 13598 (2008)

Formula: C₁₂H₁₅NO₃

Color and Shape: Neat

Molecular weight: 221.25

Ref: TR-D228505

DEET-D10 Omega-Carboxylic Acid

Controlled Product

CAS: 72236-23-8

Applications DEET-D10 ω-Carboxylic acid is a labelled derivative of DEET ω-carboxylic acid (D228505).

Formula: C₁₂H₅D₁₀NO₃

Color and Shape: Neat

Molecular weight: 231.31

Ref: TR-D228507

DCBA

CAS: 72236-23-8

DCBA, an endogenous metabolite of the insect repellent N-N-diethyl-meta-toluamide (DEET), is utilized to evaluate DEET exposure through its concentration levels

Formula: C₁₂H₁₅NO₃

Purity: 98.95%

Color and Shape: Solid

Molecular weight: 221.25

Ref: TM-T8547

DCBA

CAS: 72236-23-8

3-(Diethylcarbamoyl)benzoic acid

Formula: C₁₂H₁₅NO₃

Purity: 99%

Molecular weight: 221.25

Ref: IN-DG648000