CAS 1131594-28-9
:3-Bromo-4-[(diethylamino)methyl]benzoic acid
Description:
3-Bromo-4-[(diethylamino)methyl]benzoic acid is an organic compound characterized by its aromatic structure, which includes a bromine substituent and a diethylamino group attached to a benzoic acid moiety. The presence of the bromine atom introduces both electronegative character and potential for further chemical reactivity, while the diethylamino group enhances its basicity and solubility in organic solvents. This compound typically exhibits properties associated with both the carboxylic acid functional group and the aromatic system, such as acidity and the ability to participate in electrophilic substitution reactions. Its molecular structure suggests potential applications in pharmaceuticals, particularly as a building block in drug synthesis or as a ligand in coordination chemistry. Additionally, the compound's unique functional groups may influence its biological activity, making it of interest in medicinal chemistry. Safety and handling precautions should be observed, as with many brominated compounds, due to potential toxicity and environmental concerns.
Formula:C12H16BrNO2
InChI:InChI=1S/C12H16BrNO2/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=GCTODQKLBSSGNZ-UHFFFAOYSA-N
SMILES:C(N(CC)CC)C1=C(Br)C=C(C(O)=O)C=C1
Synonyms:- Benzoic acid, 3-bromo-4-[(diethylamino)methyl]-
- 3-Bromo-4-[(diethylamino)methyl]benzoic acid
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