Ethyl 2-nitropropionate

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Ethyl 2-nitropropionate Basic information
Product Name:Ethyl 2-nitropropionate
Synonyms:2-nitro-propanoicaciethylester;Propanoic acid, 2-nitro-, ethyl ester;Propionic acid, 2-nitro-, ethyl ester;Ethyl alpha-nitropropionate;Nsc 63896;ethyl 2-nitropropanoate;Ethyl 2-nitropropionate 96%;Ethyl 2-nitropropiote, 96%
CAS:2531-80-8
MF:C5H9NO4
MW:147.13
EINECS:
Product Categories:C2 to C5;Carbonyl Compounds;Esters
Mol File:2531-80-8.mol
Ethyl 2-nitropropionate Structure
Ethyl 2-nitropropionate Chemical Properties
Boiling point 75-76 °C/9 mmHg (lit.)
density 1.13 g/mL at 25 °C (lit.)
refractive index n20/D 1.421(lit.)
Fp 193 °F
storage temp. Store at room temperature
form liquid
pka5.98±0.10(Predicted)
AppearanceColorless to light yellow Liquid
Water Solubility Not miscible in water.
BRN 774734
InChI1S/C5H9NO4/c1-3-10-5(7)4(2)6(8)9/h4H,3H2,1-2H3
InChIKeyZXBGJDZWJJFFQY-UHFFFAOYSA-N
SMILESCCOC(=O)C(C)[N+]([O-])=O
EPA Substance Registry SystemPropanoic acid, 2-nitro-, ethyl ester (2531-80-8)
Safety Information
Hazard Codes Xi
Risk Statements 36/37/38
Safety Statements 26-36/37/39
RIDADR NA 1993 / PGIII
WGK Germany 3
TSCA TSCA listed
HazardClass IRRITANT
Storage Class10 - Combustible liquids
Hazard ClassificationsEye Irrit. 2
Skin Irrit. 2
STOT SE 3
MSDS Information
ProviderLanguage
SigmaAldrich English
ALFA English
Ethyl 2-nitropropionate Usage And Synthesis
UsesEthyl 2-nitropropionate is used in the preparation of (-)-trans-2,5-dimethylprolineethyl ester via enantioselective Michael reaction methyl vinyl ketone using modified dihydroquinine as catalyst, novel nitrogen-15-labeled nitrone spin trap, 5-ethoxycarbonyl-5-methyl-1-pyrroline N-oxide ([15N]EMPO) for detecting superoxide anion, 2-ethoxycarbonyl-2-nitropentanal. It is used for enantioselective Michael reactions.
UsesEthyl 2-nitropropionate was used in the preparation of:
  • ()-trans-2,5-dimethylprolineethyl ester via enantioselective Michael reaction methyl vinyl ketone using modified dihydroquinine as catalyst
  • novel nitrogen-15-labeled nitrone spin trap, 5-ethoxycarbonyl-5-methyl-1-pyrroline N-oxide ([15N]EMPO) for detecting superoxide anion
  • 2-ethoxycarbonyl-2-nitropentanal
General DescriptionEthyl 2-nitropropionate is a nitro ester.
Ethyl 2-nitropropionate Preparation Products And Raw materials
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