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CAS 10565-14-7

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Propanedioic acid, 2-(2-nitrophenyl)-, 1,3-diethyl ester

Description:
Propanedioic acid, 2-(2-nitrophenyl)-, 1,3-diethyl ester, commonly known as diethyl 2-(2-nitrophenyl)malonate, is an organic compound characterized by its ester functional groups and a nitrophenyl substituent. This compound features a malonate backbone, which consists of a central propanedioic acid structure with two ethyl ester groups attached to the first and third carbon atoms. The presence of the nitrophenyl group introduces electron-withdrawing characteristics, which can influence the compound's reactivity and solubility. Typically, such compounds are used in organic synthesis, particularly in the preparation of various pharmaceuticals and agrochemicals. They may exhibit moderate to high polarity due to the ester and nitro groups, affecting their solubility in polar solvents. Additionally, the nitro group can impart unique electronic properties, making the compound useful in various chemical reactions, including nucleophilic substitutions and cycloadditions. Safety data should be consulted, as nitro compounds can pose health risks, and appropriate handling procedures should be followed.
Formula:C13H15NO6
InChI:InChI=1S/C13H15NO6/c1-3-19-12(15)11(13(16)20-4-2)9-7-5-6-8-10(9)14(17)18/h5-8,11H,3-4H2,1-2H3
InChI key:InChIKey=ZOUAMWVPTIVCRF-UHFFFAOYSA-N
SMILES:C(C(OCC)=O)(C(OCC)=O)C1=C(N(=O)=O)C=CC=C1
Synonyms:
  • Propanedioic acid, (2-nitrophenyl)-, diethyl ester
  • Propanedioic acid, 2-(2-nitrophenyl)-, 1,3-diethyl ester
  • Diethyl (o-nitrophenyl)malonate
  • Diethyl 2-nitrophenylmalonate
  • Malonic acid, (o-nitrophenyl)-, diethyl ester
  • diethyl (2-nitrophenyl)malonate
  • 1,3-diethyl 2-(2-nitrophenyl)propanedioate
  • Diethyl 2-(2-nitrophenyl)malonate
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