CAS 80854-57-5
:ethyl 3-(4-nitrophenyl)but-2-enoate
Description:
Ethyl 3-(4-nitrophenyl)but-2-enoate, with the CAS number 80854-57-5, is an organic compound characterized by its ester functional group and a conjugated double bond system. This compound features a but-2-enoate backbone, which contributes to its reactivity and potential applications in organic synthesis. The presence of the 4-nitrophenyl group introduces electron-withdrawing characteristics, enhancing the compound's electrophilicity and making it useful in various chemical reactions, such as nucleophilic substitutions and Michael additions. Ethyl 3-(4-nitrophenyl)but-2-enoate is typically a yellow to orange solid or liquid, depending on its purity and specific conditions. It is soluble in organic solvents like ethanol and dichloromethane but has limited solubility in water due to its hydrophobic nature. This compound is of interest in medicinal chemistry and materials science, where it may serve as an intermediate in the synthesis of more complex molecules or as a building block for functional materials. Safety precautions should be taken when handling this compound, as it may pose health risks.
Formula:C12H13NO4
InChI:InChI=1/C12H13NO4/c1-3-17-12(14)8-9(2)10-4-6-11(7-5-10)13(15)16/h4-8H,3H2,1-2H3
SMILES:CCOC(=O)C=C(C)c1ccc(cc1)N(=O)=O
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