Description

Ethyl 4-nitrophenylglyoxylate (CAS No. 70091-75-7) is a high-purity organic compound with the molecular formula C₁₀H₉NO₅. This ester derivative of glyoxylic acid features a 4-nitrophenyl group, making it a valuable intermediate in synthetic organic chemistry and pharmaceutical research. Its IUPAC name, ethyl 2-(4-nitrophenyl)-2-oxoacetate, reflects its precise structural configuration. The compound is characterized by its pale-yellow crystalline appearance and is typically supplied with ≥98% purity, ensuring consistency for laboratory and industrial applications. Suitable for use in peptide synthesis, cross-coupling reactions, and as a precursor for heterocyclic compounds, this reagent is packaged under inert conditions to maintain stability. Store in a cool, dry place away from light and moisture to preserve its integrity.

Properties

• CAS Number: 70091-75-7
• Complexity: 288
• IUPAC Name: ethyl 2-(4-nitrophenyl)-2-oxo-acetate
• InChI: InChI=1S/C10H9NO5/c1-2-16-10(13)9(12)7-3-5-8(6-4-7)11(14)15/h3-6H,2H2,1H3
• InChI Key: ZFCXKZCKJZFZGR-UHFFFAOYSA-N
• Exact Mass: 223.04807239
• Molecular Formula: C10H9NO5
• Molecular Weight: 223.18
• SMILES: CCOC(=O)C(=O)C1=CC=C(C=C1)[N+](=O)[O-]
• Topological: 89.2
• Monoisotopic Mass: 223.04807239
• Synonyms: Ethyl 4-nitrophenylglyoxylate, 70091-75-7, ethyl 2-(4-nitrophenyl)-2-oxoacetate, Ethyl 4-nitrobenzoylformate, (4-nitro-phenyl)-oxo-acetic acid ethyl ester, Ethyl (4-nitrophenyl)(oxo)acetate, MFCD00051841, ethyl p-nitrophenylglyoxylate, ethyl-4-nitrophenylglyoxylate, SCHEMBL478613, SCHEMBL2666687, DTXSID00334933, ethyl(4-nitrophenyl)(oxo)acetate, Ethyl (4-nitrophenyl)(oxo)acetate #, ethyl2-(4-nitrophenyl)-2-oxoacetate, AKOS024348951, AS-44427, DB-055376, CS-0113067, ST50827286

Application

Ethyl 4-nitrophenylglyoxylate is widely utilized as a key building block in the synthesis of pharmaceuticals, agrochemicals, and specialty chemicals. It serves as a precursor in the preparation of heterocyclic compounds, including quinoxalines and indoles, which are critical in drug discovery. Researchers also employ it in peptide coupling reactions due to its reactive glyoxylate moiety. Its nitro group enhances electrophilicity, facilitating nucleophilic aromatic substitutions in organic transformations.

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