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CAS 61312-59-2

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2-Methylpropyl 2-[(2-nitrophenyl)methylene]-3-oxobutanoate

Description:
2-Methylpropyl 2-[(2-nitrophenyl)methylene]-3-oxobutanoate, identified by its CAS number 61312-59-2, is an organic compound characterized by its ester functional group and a complex structure that includes a nitrophenyl moiety. This compound typically exhibits a yellow to orange color due to the presence of the nitrophenyl group, which can also influence its reactivity and solubility. It is likely to be soluble in organic solvents, such as ethanol and acetone, but may have limited solubility in water due to its hydrophobic characteristics. The presence of the ketone and ester functionalities suggests that it may participate in various chemical reactions, including nucleophilic additions and condensation reactions. Additionally, the nitro group can impart unique electronic properties, making it a potential candidate for applications in organic synthesis and materials science. Safety data should be consulted for handling and storage, as compounds with nitro groups can sometimes be hazardous.
Formula:C15H17NO5
InChI:InChI=1S/C15H17NO5/c1-10(2)9-21-15(18)13(11(3)17)8-12-6-4-5-7-14(12)16(19)20/h4-8,10H,9H2,1-3H3
InChI key:InChIKey=MGPMEYRPZPIHIL-UHFFFAOYSA-N
SMILES:C(=C(C(OCC(C)C)=O)C(C)=O)C1=C(N(=O)=O)C=CC=C1
Synonyms:
  • 2-Methylpropyl 2-[(2-nitrophenyl)methylene]-3-oxobutanoate
  • Butanoic acid, 2-[(2-nitrophenyl)methylene]-3-oxo-, 2-methylpropyl ester
  • Isobutyl 2-(2-nitrobenzylidene)-3-oxobutanoate
  • Isobutyl 2-(2-nitrobenzylidene)acetoacetate
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