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E41206

Ethyl 4-nitrobenzoylacetate

Synonym(s):

(p-Nitrobenzoyl)acetic acid ethyl ester, Ethyl 3-oxo-3-(4-nitrophenyl)propanoate, NSC 62134

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About This Item

Linear Formula:
O2NC6H4COCH2CO2C2H5
CAS Number:
838-57-3
Molecular Weight:
237.21
NACRES:
NA.22
PubChem Substance ID:
24894540
UNSPSC Code:
12352100
EC Number:
212-656-7
MDL number:
MFCD00007357
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mp

71-73 °C (lit.)

SMILES string

CCOC(=O)CC(=O)c1ccc(cc1)[N+]([O-])=O

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

InChI key

NGRXSVFCLHVGKU-UHFFFAOYSA-N

Application

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

Storage Class

11 - Combustible Solids

wgk

WGK 2

flash_point_f

Not applicable

flash_point_c

Not applicable

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