CAS 1131588-19-6
:Ethyl 3-iodo-4-(1-methylethyl)benzoate
Description:
Ethyl 3-iodo-4-(1-methylethyl)benzoate is an organic compound characterized by its ester functional group, which is derived from benzoic acid and ethanol. The presence of the iodine atom at the 3-position of the aromatic ring contributes to its reactivity and potential applications in organic synthesis, particularly in nucleophilic substitution reactions. The 4-(1-methylethyl) substituent, which is an isopropyl group, enhances the hydrophobic character of the molecule, influencing its solubility and interaction with biological systems. This compound is typically a colorless to pale yellow liquid or solid, depending on its purity and temperature. Its molecular structure suggests it may exhibit interesting properties such as moderate volatility and potential biological activity, making it a candidate for further research in medicinal chemistry or materials science. Safety data should be consulted for handling, as iodine-containing compounds can pose health risks. Overall, Ethyl 3-iodo-4-(1-methylethyl)benzoate is a valuable compound in synthetic organic chemistry.
Formula:C12H15IO2
InChI:InChI=1S/C12H15IO2/c1-4-15-12(14)9-5-6-10(8(2)3)11(13)7-9/h5-8H,4H2,1-3H3
InChI key:InChIKey=BFJVARACMISZLG-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C1=CC(I)=C(C(C)C)C=C1
Synonyms:- Ethyl 3-iodo-4-(1-methylethyl)benzoate
- Benzoic acid, 3-iodo-4-(1-methylethyl)-, ethyl ester
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