CAS 1131587-19-3
:Ethyl 2-(3-buten-1-yl)-5-iodobenzoate
Description:
Ethyl 2-(3-buten-1-yl)-5-iodobenzoate 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 5-position of the aromatic ring contributes to its reactivity and potential applications in organic synthesis. The molecule features a butenyl side chain, which introduces unsaturation and can participate in various chemical reactions, such as addition or substitution. This compound is typically a colorless to pale yellow liquid, exhibiting moderate solubility in organic solvents. Its structure suggests potential uses in medicinal chemistry and materials science, particularly in the development of pharmaceuticals or as an intermediate in the synthesis of more complex organic molecules. Additionally, the presence of the iodine atom may enhance its utility in coupling reactions or as a labeling agent in biological studies. As with many organic compounds, handling should be done with care, considering safety data and potential hazards associated with its use.
Formula:C13H15IO2
InChI:InChI=1S/C13H15IO2/c1-3-5-6-10-7-8-11(14)9-12(10)13(15)16-4-2/h3,7-9H,1,4-6H2,2H3
InChI key:InChIKey=XLMJGGLRJSTBQF-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C1=C(CCC=C)C=CC(I)=C1
Synonyms:- Benzoic acid, 2-(3-buten-1-yl)-5-iodo-, ethyl ester
- Ethyl 2-(3-buten-1-yl)-5-iodobenzoate
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