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HomeProduct name listEthyl 4-nitrobenzoylacetate

Ethyl 4-nitrobenzoylacetate

Synonym(s):(p-Nitrobenzoyl)acetic acid ethyl ester;Ethyl 3-oxo-3-(4-nitrophenyl)propanoate;NSC 62134

  • CAS NO.:838-57-3
  • Empirical Formula: C11H11NO5
  • Molecular Weight: 237.21
  • MDL number: MFCD00007357
  • EINECS: 212-656-7
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-06-12 17:09:23
Ethyl 4-nitrobenzoylacetate Structural

What is Ethyl 4-nitrobenzoylacetate?

Chemical properties

yellow fine crystalline powder

The Uses of Ethyl 4-nitrobenzoylacetate

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.

The Uses of Ethyl 4-nitrobenzoylacetate

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

What are the applications of Application

Ethyl 4-nitrobenzoylacetate is a useful reactant

Properties of Ethyl 4-nitrobenzoylacetate

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)
form  powder to crystal
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
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 information for Ethyl 4-nitrobenzoylacetate

Signal word Warning
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

Computed Descriptors for Ethyl 4-nitrobenzoylacetate

InChIKey NGRXSVFCLHVGKU-UHFFFAOYSA-N
SMILES C1(C=CC([N+]([O-])=O)=CC=1)C(=O)CC(=O)OCC

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