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HomeProduct name listDiethyl 1,3-acetonedicarboxylate

Diethyl 1,3-acetonedicarboxylate

Synonym(s):Diethyl 3-oxoglutarate

  • CAS NO.:105-50-0
  • Empirical Formula: C9H14O5
  • Molecular Weight: 202.2
  • MDL number: MFCD00009200
  • EINECS: 203-302-2
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-11-01 18:09:03
Diethyl 1,3-acetonedicarboxylate Structural

What is Diethyl 1,3-acetonedicarboxylate?

Chemical properties

clear colorless to pale yellow liquid

The Uses of Diethyl 1,3-acetonedicarboxylate

Diethyl 1,3-acetonedicarboxylate was used in the synthesis of novel pyrido[4,3,2-de]quinoline, isoquinolino[6,5,4,3-cde] quinoline and pyrazomycin. It was used as starting reagent in the synthesis of (±)-thienamycin, potent β-lactam antibiotic.

Properties of Diethyl 1,3-acetonedicarboxylate

Melting point: 125 °C
Boiling point: 250 °C (lit.)
Density  1.113 g/mL at 25 °C (lit.)
refractive index  n20/D 1.440(lit.)
Flash point: 187 °F
storage temp.  Sealed in dry,2-8°C
solubility  Chloroform (Slightly), Ethyl Acetate (Slightly)
pka 9.66±0.46(Predicted)
form  Liquid
color  Clear colorless to pale yellow
Water Solubility  10 g/L (20 ºC)
Sensitive  Moisture Sensitive
BRN  640146
CAS DataBase Reference 105-50-0(CAS DataBase Reference)
NIST Chemistry Reference Pentanedioic acid, 3-oxo-, diethyl ester(105-50-0)
EPA Substance Registry System Pentanedioic acid, 3-oxo-, diethyl ester (105-50-0)

Safety information for Diethyl 1,3-acetonedicarboxylate

Signal word Warning
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H227:Flammable liquids
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P403+P235:Store in a well-ventilated place. Keep cool.
P501:Dispose of contents/container to..…

Computed Descriptors for Diethyl 1,3-acetonedicarboxylate

InChIKey ZSANYRMTSBBUCA-UHFFFAOYSA-N

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