Ethyl 4-nitrobenzoylacetate, 97%, Thermo Scientific Chemicals

Product Code	Brand	Quantity
11458227	Thermo Scientific Alfa Aesar A17603.09	10 g
11468227	Thermo Scientific Alfa Aesar A17603.18	50 g
11478227	Thermo Scientific Alfa Aesar A17603.30	250 g

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.

Chemical Identifiers

• CAS: 838-57-3
• Molecular Weight (g/mol): 237.211
• InChI Key: NGRXSVFCLHVGKU-UHFFFAOYSA-N
• PubChem CID: 13281
• SMILES: CCOC(=O)CC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

• Molecular Formula: C11H11NO5
• MDL Number: MFCD00007357
• 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
• IUPAC Name: ethyl 3-(4-nitrophenyl)-3-oxopropanoate

Specifications

• CAS: 838-57-3
• Molecular Formula: C11H11NO5
• Beilstein: 1124763
• InChI Key: NGRXSVFCLHVGKU-UHFFFAOYSA-N
• IUPAC Name: ethyl 3-(4-nitrophenyl)-3-oxopropanoate
• PubChem CID: 13281
• Percent Purity: 97%

• Melting Point: 68°C to 73°C
• MDL Number: MFCD00007357
• 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
• SMILES: CCOC(=O)CC(=O)C1=CC=C(C=C1)[N+](=O)[O-]
• Molecular Weight (g/mol): 237.211
• Formula Weight: 237.21
• Chemical Name or Material: Ethyl 4-nitrobenzoylacetate

Safety and Handling

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Recommended Storage : Ambient temperatures

RUO – Research Use Only