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: 2024-11-07 13:31:19
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 | n |
| 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) |
 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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product: B-Ketoglutaric acid diethyl ester
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