CAS 15118-70-4
:ethyl 4-(4-nitrophenyl)-4-oxobutanoate
Description:
Ethyl 4-(4-nitrophenyl)-4-oxobutanoate, with the CAS number 15118-70-4, is an organic compound characterized by its ester functional group and a nitrophenyl substituent. This compound features a butanoate backbone, which includes a ketone group adjacent to the ester, contributing to its reactivity and potential applications in organic synthesis. The presence of the nitro group on the phenyl ring enhances its electrophilic properties, making it useful in various chemical reactions, including nucleophilic substitutions and coupling reactions. Ethyl 4-(4-nitrophenyl)-4-oxobutanoate is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. Its chemical structure allows for potential applications in pharmaceuticals, agrochemicals, and as an intermediate in the synthesis of more complex molecules. Safety data should be consulted for handling and storage, as compounds with nitro groups can pose risks such as toxicity and environmental hazards. Overall, this compound is of interest in both academic research and industrial applications due to its unique structural features.
Formula:C12H13NO5
InChI:InChI=1/C12H13NO5/c1-2-18-12(15)8-7-11(14)9-3-5-10(6-4-9)13(16)17/h3-6H,2,7-8H2,1H3
SMILES:CCOC(=O)CCC(=O)c1ccc(cc1)N(=O)=O
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