Ethyl 4-nitrobenzoylacetate, 97%, Thermo Scientific Chemicals

Description

It is employed as a reactant involved in synthesis of β-1,3-dicarbonyl aldehydes via oxidation, knoevenagel condensation using a lysine catalyst, and cycloisomerization for the synthesis of trisubstituted furans. It is also a reactant for the fluorination by HF and iodosylbenzene, intramolecular Michael addition reactions and synthesis of diols. Also applied in the synthesis of diols via reduction of aromatic and aliphatic ketos esters6 and cross-coupling reactions for stereo selective synthesis of unsymmetrical 1,4-enediones.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
It is employed as a reactant involved in synthesis of β-1,3-dicarbonyl aldehydes via oxidation, knoevenagel condensation using a lysine catalyst, and cycloisomerization for the synthesis of trisubstituted furans. It is also a reactant for the fluorination by HF and iodosylbenzene, intramolecular Michael addition reactions and synthesis of diols. Also applied in the synthesis of diols via reduction of aromatic and aliphatic ketos esters6 and cross-coupling reactions for stereo selective synthesis of unsymmetrical 1,4-enediones.

Notes
Store away from oxidizing agents. Keep the container tightly closed in a cool, dry place.

Specifications

Chemical Identifiers

• CAS: 838-57-3
• Molecular Formula: C11H11NO5
• Molecular Weight (g/mol): 237.211
• MDL Number: MFCD00007357
• InChI Key: NGRXSVFCLHVGKU-UHFFFAOYSA-N
• Synonym: ethyl 4-nitrobenzoylacetate, ethyl 3-4-nitrophenyl-3-oxopropanoate, ethyl p-nitrobenzoyl acetate, ethyl 4-nitrobenzoyl acetate, p-nitrobenzoyl acetic acid ethyl ester, ethyl p-nitrobenzoylacetate, 4-nitrobenzoylacetic acid ethyl ester, ethyl 4-nitro-beta-oxobenzenepropanoate, 4-nitrobenzoyl acetic acid ethyl ester, benzenepropanoic acid, 4-nitro-beta-oxo-, ethyl ester
• PubChem CID: 13281
• IUPAC Name: ethyl 3-(4-nitrophenyl)-3-oxopropanoate
• SMILES: CCOC(=O)CC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

• Melting Point: 68°C to 73°C
• Quantity: 250 g
• Beilstein: 1124763
• Formula Weight: 237.21
• Percent Purity: 97%
• Chemical Name or Material: Ethyl 4-nitrobenzoylacetate

Safety and Handling

EINECSNumber	212-656-7
RTECSNumber	AJ1073500
TSCA	Yes
Recommended Storage	Ambient temperatures

SDS

RUO – Research Use Only