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Ethyl 4-nitrobenzoylacetate

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Ethyl 4-nitrobenzoylacetate Basic information

Product Name:
Ethyl 4-nitrobenzoylacetate
Synonyms:
  • Acetic acid, (p-nitrobenzoyl)-, ethyl ester
  • 3-keto-3-(4-nitrophenyl)propionic acid ethyl ester
  • 3-Oxo-3-(p-nitrophenyl)propionic acid, ethyl e
  • 4-Nitro-b-oxo-benzenepropanoic acid ethyl ester
  • Ethyl 3-oxo-3-(4-nitrophenyl)propanoate
  • NSC 62134
  • Benzenepropanoic acid, 4-nitro-β-oxo-, ethyl ester
  • ETHYL 4-NITROBENZOYLACETAT
CAS:
838-57-3
MF:
C11H11NO5
MW:
237.21
EINECS:
212-656-7
Product Categories:
  • Aromatic Esters
  • Benzoic acid
  • C10 to C11
  • Carbonyl Compounds
  • Esters
Mol File:
838-57-3.mol
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Ethyl 4-nitrobenzoylacetate Chemical Properties

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
form 
powder to crystal
pka
8.70±0.25(Predicted)
color 
White to Light yellow to Light orange
BRN 
1124763
InChI
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
InChIKey
NGRXSVFCLHVGKU-UHFFFAOYSA-N
SMILES
C1(C=CC([N+]([O-])=O)=CC=1)C(=O)CC(=O)OCC
CAS DataBase Reference
838-57-3(CAS DataBase Reference)
EPA Substance Registry System
Benzenepropanoic acid, 4-nitro-.beta.-oxo-, ethyl ester (838-57-3)
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Safety Information

Hazard Codes 
Xi
Risk Statements 
36/37/38
Safety Statements 
24/25-36/37-26
WGK Germany 
2
RTECS 
AJ1073500
TSCA 
Yes
HazardClass 
IRRITANT
HS Code 
29183000

MSDS

  • Language:English Provider:ACROS
  • Language:English Provider:ALFA
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Ethyl 4-nitrobenzoylacetate Usage And Synthesis

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

Ethyl 4-nitrobenzoylacetateSupplier

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