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CAS 111304-32-6

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Ethyl (2Z)-2-[(3-nitrophenyl)methylene]-3-oxobutanoate

Description:
Ethyl (2Z)-2-[(3-nitrophenyl)methylene]-3-oxobutanoate, with the CAS number 111304-32-6, is an organic compound characterized by its functional groups, including an ester and a ketone. This compound features a butanoate backbone with a nitrophenyl group attached via a methylene bridge, which contributes to its unique reactivity and potential applications in organic synthesis. The presence of the nitro group enhances its electrophilic character, making it a candidate for various chemical reactions, including nucleophilic substitutions and condensation reactions. The Z configuration indicates a specific geometric arrangement around the double bond, influencing its physical properties and reactivity. Ethyl (2Z)-2-[(3-nitrophenyl)methylene]-3-oxobutanoate may exhibit moderate solubility in organic solvents and has potential applications in pharmaceuticals, agrochemicals, and materials science due to its structural features. As with many organic compounds, safety precautions should be observed when handling this substance, as it may pose health risks or environmental hazards.
Formula:C13H13NO5
InChI:InChI=1S/C13H13NO5/c1-3-19-13(16)12(9(2)15)8-10-5-4-6-11(7-10)14(17)18/h4-8H,3H2,1-2H3/b12-8-
InChI key:InChIKey=YOPMSDPIOQUWFE-WQLSENKSSA-N
SMILES:C(=C(\C(OCC)=O)/C(C)=O)\C1=CC(N(=O)=O)=CC=C1
Synonyms:
  • Ethyl (2Z)-2-[(3-nitrophenyl)methylene]-3-oxobutanoate
  • Butanoic acid, 2-[(3-nitrophenyl)methylene]-3-oxo-, ethyl ester, (Z)-
  • Butanoic acid, 2-[(3-nitrophenyl)methylene]-3-oxo-, ethyl ester, (2Z)-
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