E41206

Ethyl 4-nitrobenzoylacetate

• Synonym(s): (p-Nitrobenzoyl)acetic acid ethyl ester, Ethyl 3-oxo-3-(4-nitrophenyl)propanoate, NSC 62134
• Linear Formula: O₂NC₆H₄COCH₂CO₂C₂H₅
• CAS Number: 838-57-3
• Molecular Weight: 237.21
• NACRES: NA.22
• PubChem Substance ID: 24894540
• UNSPSC Code: 12352100
• EC Number: 212-656-7
• MDL number: MFCD00007357

Properties

• mp: 71-73 °C (lit.)
• SMILES string: CCOC(=O)CC(=O)c1ccc(cc1)[N+]([O-])=O
• InChI: 1S/C11H11NO5/c1-2-17-11(14)7-10(13)8-3-5-9(6-4-8)12(15)16/h3-6H,2,7H2,1H3
• InChI key: NGRXSVFCLHVGKU-UHFFFAOYSA-N

Description

Application

Reactant involved in:

• Synthesis of β-1,3-dicarbonyl aldehydes via oxidation
• Knoevenagel condensation using a lysine catalyst
• Cycloisomerization fo rthe synthesis of trisubstituted furans
• Fluorination by HF and iodosylbenzene
• Intramolecular Michael addition reactions for synthesis of benzylbutyrolactones
• Synthesis of diols via reduction of aromatic and aliphatic ketos esters
• Cross-coupling reactions for stereoselective synthesis of unsymmetrical 1,4-enediones

Safety Information

• Storage Class: 11 - Combustible Solids
• wgk: WGK 2
• flash_point_f: Not applicable
• flash_point_c: Not applicable