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CAS 35204-44-5

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Ethyl 6-iodo-4-oxo-4H-1-benzopyran-2-carboxylate

Description:
Ethyl 6-iodo-4-oxo-4H-1-benzopyran-2-carboxylate, with the CAS number 35204-44-5, is a chemical compound that belongs to the class of benzopyran derivatives. This substance features a benzopyran core, which is characterized by a fused benzene and pyran ring structure. The presence of the iodo substituent at the 6-position enhances its reactivity and potential applications in organic synthesis. The 4-oxo group indicates the presence of a carbonyl functional group, contributing to its reactivity and potential for further chemical transformations. The ethyl ester functionality at the 2-position suggests that it can undergo hydrolysis to yield the corresponding carboxylic acid. This compound may exhibit biological activity, making it of interest in medicinal chemistry and drug development. Its unique structure allows for various applications, including use as an intermediate in the synthesis of more complex organic molecules. As with many halogenated compounds, it is important to handle it with care due to potential toxicity and environmental considerations.
Formula:C12H9IO4
InChI:InChI=1S/C12H9IO4/c1-2-16-12(15)11-6-9(14)8-5-7(13)3-4-10(8)17-11/h3-6H,2H2,1H3
InChI key:InChIKey=HUJFMOAXSPSGDU-UHFFFAOYSA-N
SMILES:O=C1C=2C(OC(C(OCC)=O)=C1)=CC=C(I)C2
Synonyms:
  • Ethyl 6-iodo-4-oxo-1-benzopyran-2-carboxylate
  • 4H-1-Benzopyran-2-carboxylic acid, 6-iodo-4-oxo-, ethyl ester
  • Ethyl 6-iodo-4-oxo-4H-1-benzopyran-2-carboxylate
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