CAS 898777-59-8

Ethyl 4-nitro-δ-oxobenzenepentanoate

Description:

Ethyl 4-nitro-δ-oxobenzenepentanoate, identified by its CAS number 898777-59-8, is an organic compound characterized by its ester functional group and the presence of a nitro group. This compound features a pentanoate chain, which contributes to its hydrophobic properties, while the nitro group introduces polarity and potential reactivity, making it a candidate for various chemical reactions. The presence of the δ-oxo group indicates that it contains a carbonyl functionality, which can participate in nucleophilic addition reactions. Ethyl 4-nitro-δ-oxobenzenepentanoate may exhibit moderate solubility in organic solvents, but limited solubility in water due to its hydrophobic alkyl chain. Its structure suggests potential applications in organic synthesis, particularly in the development of pharmaceuticals or agrochemicals, where nitro and carbonyl functionalities are often utilized. Additionally, the compound's reactivity profile may allow for further derivatization, making it a versatile intermediate in synthetic chemistry. Safety and handling precautions should be observed, as nitro compounds can be sensitive and potentially hazardous.

Formula: C₁₃H₁₅NO₅

InChI: InChI=1S/C13H15NO5/c1-2-19-13(16)5-3-4-12(15)10-6-8-11(9-7-10)14(17)18/h6-9H,2-5H2,1H3

InChI key: InChIKey=PYDJNTHFFDADIE-UHFFFAOYSA-N

SMILES: C(CCCC(OCC)=O)(=O)C1=CC=C(N(=O)=O)C=C1

Synonyms:

• Benzenepentanoic acid, 4-nitro-δ-oxo-, ethyl ester
• Ethyl 4-nitro-δ-oxobenzenepentanoate