CAS 777062-26-7

Ethyl 4-acetyl-2-nitrobenzeneacetate

Description:

Ethyl 4-acetyl-2-nitrobenzeneacetate is an organic compound characterized by its complex structure, which includes an ethyl ester group, an acetyl group, and a nitro group attached to a benzene ring. This compound typically appears as a yellow to brown solid or liquid, depending on its purity and specific conditions. It is 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 nitro group imparts certain reactivity, making it a potential candidate for various chemical reactions, including nucleophilic substitutions and reductions. Ethyl 4-acetyl-2-nitrobenzeneacetate may be used in synthetic organic chemistry, particularly in the development of pharmaceuticals or agrochemicals. Safety considerations should be taken into account, as nitro compounds can be hazardous and may require proper handling and storage protocols. Overall, this compound exemplifies the diverse functionalities that can be achieved through the combination of different chemical groups in organic synthesis.

Formula: C₁₂H₁₃NO₅

InChI: InChI=1S/C12H13NO5/c1-3-18-12(15)7-10-5-4-9(8(2)14)6-11(10)13(16)17/h4-6H,3,7H2,1-2H3

InChI key: InChIKey=XTEGVOBLOHIUJB-UHFFFAOYSA-N

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

Synonyms:

• (4-Acetyl-2-nitro-phenyl)-acetic acid ethyl ester
• Benzeneacetic acid, 4-acetyl-2-nitro-, ethyl ester
• Ethyl 4-acetyl-2-nitrobenzeneacetate