CAS 1131614-39-5

4-[(Diethylamino)methyl]-3-iodobenzoic acid

Description:

4-[(Diethylamino)methyl]-3-iodobenzoic acid, identified by its CAS number 1131614-39-5, is an organic compound characterized by the presence of a benzoic acid moiety substituted with an iodine atom and a diethylamino group. This compound typically exhibits a solid state at room temperature and is soluble in polar organic solvents due to the presence of the carboxylic acid functional group. The diethylamino group contributes to its basicity and potential for forming salts with acids. The iodine substituent can influence the compound's reactivity, making it useful in various chemical reactions, including electrophilic substitutions. Additionally, the compound may exhibit biological activity, which can be explored in medicinal chemistry contexts. Its structure suggests potential applications in pharmaceuticals, particularly in drug design and development, where modifications to the aromatic system can lead to compounds with desired therapeutic properties. Safety and handling precautions should be observed, as with all chemical substances, due to potential toxicity and environmental impact.

Formula: C₁₂H₁₆INO₂

InChI: InChI=1S/C12H16INO2/c1-3-14(4-2)8-10-6-5-9(12(15)16)7-11(10)13/h5-7H,3-4,8H2,1-2H3,(H,15,16)

InChI key: InChIKey=LJAILOXBKIZGIL-UHFFFAOYSA-N

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

Synonyms:

• 4-[(Diethylamino)methyl]-3-iodobenzoic acid
• Benzoic acid, 4-[(diethylamino)methyl]-3-iodo-

4-((Diethylamino)methyl)-3-iodobenzoic acid

CAS: 1131614-39-5

Formula: C₁₂H₁₆INO₂

Molecular weight: 333.1654

Ref: IN-DA008Z1F