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ChemicalBook--->CAS DataBase List--->838-57-3

838-57-3

838-57-3 Structure

838-57-3 Structure
IdentificationMore
[Name]

ETHYL 4-NITROBENZOYLACETATE
[CAS]

838-57-3
[Synonyms]

4-NITROBENZOYLACETIC ACID ETHYL ESTER
AKOS BC-0951
ETHYL 2-(4-NITROBENZOYL) ACETATE
ETHYL 3-(4-NITROPHENYL)-3-OXOPROPANOATE
ETHYL 3-OXO-3-(P-NITROPHENYL)PROPIONATE
ETHYL 4-NITROBENZOYLACETATE
ETHYL P-NITROBENZOYLACETATE
LABOTEST-BB LT00847933
P-NITROBENZOYLACETIC ACID ETHYL ESTER
(p-nitrobenzoyl)-aceticaciethylester
4-nitro-beta-oxo-benzenepropanoicaciethylester
ethyl4-nitro-beta-oxobenzenepropanoate
3-(4-Nitrophenyl)-3-oxopropanoic acid ethyl ester
3-Oxo-3-(4-nitrophenyl)propanoic acid ethyl ester
4-Nitro-β-oxobenzenepropanoic acid ethyl ester
benzenepropanoic acid, 4-nitro-beta-oxo-, ethyl ester
[EINECS(EC#)]

212-656-7
[Molecular Formula]

C11H11NO5
[MDL Number]

MFCD00007357
[Molecular Weight]

237.21
[MOL File]

838-57-3.mol
Chemical PropertiesBack Directory
[Appearance]

yellow fine crystalline powder
[Melting point ]

67-71 °C
[Boiling point ]

379.74°C (rough estimate)
[density ]

1.3350 (rough estimate)
[refractive index ]

1.5300 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

8.70±0.25(Predicted)
[BRN ]

1124763
[CAS DataBase Reference]

838-57-3(CAS DataBase Reference)
[EPA Substance Registry System]

Benzenepropanoic acid, 4-nitro-.beta.-oxo-, ethyl ester (838-57-3)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
S36/37:Wear suitable protective clothing and gloves .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[WGK Germany ]

2
[RTECS ]

AJ1073500
[TSCA ]

Yes
[HazardClass ]

IRRITANT
[HS Code ]

29183000
Hazard InformationBack Directory
[Chemical Properties]

yellow fine crystalline powder
[Uses]

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
[Uses]

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.
Spectrum DetailBack Directory
[Spectrum Detail]

ETHYL 4-NITROBENZOYLACETATE(838-57-3)1HNMR
ETHYL 4-NITROBENZOYLACETATE(838-57-3)IR
ETHYL 4-NITROBENZOYLACETATE(838-57-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Ethyl 4-nitrobenzoylacetate, 98%(838-57-3)
[Alfa Aesar]

Ethyl 4-nitrobenzoylacetate, 98%(838-57-3)
[Sigma Aldrich]

838-57-3(sigmaaldrich)
[TCI AMERICA]

Ethyl 4-Nitrobenzoylacetate,>94.0%(GC)(838-57-3)
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