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Ethyl 4-nitrobenzoylacetate, 97%

CAS: 838-57-3 | C11H11NO5 | 237.211 g/mol

$120.56 - $2084.82

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-]
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AAA1760309
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Thermo Scientific Chemicals
A1760309
10 g
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AAA1760318
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50 g
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AAA1760330
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250 g
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Description

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

838-57-3
237.211
NGRXSVFCLHVGKU-UHFFFAOYSA-N
13281
CCOC(=O)CC(=O)C1=CC=C(C=C1)[N+](=O)[O-]
C11H11NO5
MFCD00007357
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
ethyl 3-(4-nitrophenyl)-3-oxopropanoate

Specifications

838-57-3
C11H11NO5
10 g
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
CCOC(=O)CC(=O)C1=CC=C(C=C1)[N+](=O)[O-]
237.211
237.21
Ethyl 4-nitrobenzoylacetate
68°C to 73°C
MFCD00007357
1124763
NGRXSVFCLHVGKU-UHFFFAOYSA-N
ethyl 3-(4-nitrophenyl)-3-oxopropanoate
13281
97%
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Safety and Handling

Safety and Handling

EINECSNumber : 212-656-7

RTECSNumber : AJ1073500

TSCA : Yes

Recommended Storage : Ambient temperatures

SDS
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RUO – Research Use Only