CAS 1131588-11-8

3-Iodo-4-[(1-methylethyl)amino]benzoic acid

Description:

3-Iodo-4-[(1-methylethyl)amino]benzoic acid is an organic compound characterized by its aromatic structure, which includes a benzoic acid moiety substituted with an iodine atom and an isopropylamino group. The presence of the iodine atom at the 3-position of the benzene ring contributes to its unique reactivity and potential applications in medicinal chemistry. The isopropylamino group at the 4-position enhances its basicity and may influence its interaction with biological targets. This compound is likely to exhibit moderate solubility in organic solvents and limited solubility in water due to the hydrophobic nature of the isopropyl group. Its acidic carboxylic group can participate in hydrogen bonding, affecting its overall chemical behavior. The compound may be of interest in pharmaceutical research, particularly in the development of new therapeutic agents, owing to its structural features that could interact with biological systems. As with many halogenated compounds, safety and handling precautions are essential due to potential toxicity and environmental impact.

Formula: C₁₀H₁₂INO₂

InChI: InChI=1S/C10H12INO2/c1-6(2)12-9-4-3-7(10(13)14)5-8(9)11/h3-6,12H,1-2H3,(H,13,14)

InChI key: InChIKey=LJUWLIQVMGROKG-UHFFFAOYSA-N

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

Synonyms:

• Benzoic acid, 3-iodo-4-[(1-methylethyl)amino]-
• 3-Iodo-4-[(1-methylethyl)amino]benzoic acid

3-Iodo-4-(isopropylamino)benzoic acid

CAS: 1131588-11-8

Formula: C₁₀H₁₂INO₂

Molecular weight: 305.1123

Ref: IN-DA00HCJ5