| Identification | More | [Name]
Diethyl 1,3-acetonedicarboxylate | [CAS]
105-50-0 | [Synonyms]
1,3-ACETONEDICARBOXYLIC ACID DIETHYL ESTER
3-KETOGLUTARIC ACID DIETHYL ESTER
3-OXOGLUTARIC ACID DIETHYL ESTER
3-OXO-PENTANEDIOIC ACID, DIETHY ESTER
ACETONEDICARBOXYLIC ACID DIETHYL ESTER
DIETHYL 1,3-ACETONEDICARBOXYLATE
DIETHYL 3-KETOGLUTARATE
DIETHYL 3-OXOGLUTARATE
DIETHYL ACETONE-1,3-DICARBOXYLATE
DIETHYL ACETONEDICARBOXYLATE
ETHYL ACETONEDICARBOXYLATE
3-Oxopentanedioic acid, diethyl ester
3-oxo-pentanedioicacidiethylester
Butanoic acid, (ethoxycarbonyl)-3-oxo-, ethyl ester
Diethyl 3-oxopentanedioate
Diethyl beta-oxoglutarate
Diethyl-3-oxo-pentanedionate
Ethyl 3-oxoglutarate
Glutaric acid, 3-oxo-, diethyl ester
Pentanedioicacid,3-oxo,diethylester | [EINECS(EC#)]
203-302-2 | [Molecular Formula]
C9H14O5 | [MDL Number]
MFCD00009200 | [Molecular Weight]
202.2 | [MOL File]
105-50-0.mol |
| Chemical Properties | Back Directory | [Appearance]
clear colorless to pale yellow liquid | [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.)
| [Fp ]
187 °F
| [storage temp. ]
2-8°C
| [solubility ]
Chloroform (Slightly), Ethyl Acetate (Slightly) | [form ]
Liquid | [pka]
9.66±0.46(Predicted) | [color ]
Clear colorless to pale yellow | [Water Solubility ]
10 g/L (20 ºC) | [Sensitive ]
Moisture Sensitive | [Detection Methods]
GC,NMR | [BRN ]
640146 | [InChIKey]
ZSANYRMTSBBUCA-UHFFFAOYSA-N | [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]
105-50-0(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
F,Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S24/25:Avoid contact with skin and eyes .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [RIDADR ]
UN 2810 | [WGK Germany ]
3
| [Hazard Note ]
Flammable/Moisture Sensitive | [TSCA ]
Yes | [HS Code ]
29183000 |
| Raw materials And Preparation Products | Back Directory | [Raw materials]
1,3-Acetonedicarboxylic acid-->1,1,5,5-Tetrachloropenta-1,4-dien-3-on-->Pentanedioic acid, 3-(carboxymethyl)-3-hydroxy--->Malonyl chloride | [Preparation Products]
6-CHLORO-4-ETHOXYNICOTINIC ACID-->ETHYL 6-CHLORO-4-ETHOXYPYRIDINE-3-CARBOXYLATE-->Ethyl 4,6-dichloronicotinate-->4,6-Dichloronicotinic acid-->4, 6-DIHYDROXYNICOTINIC ACID ETHYL ESTER-->URACIL-4-ACETIC ACID-->3-METHYLPENTANE-1,3,5-TRIOL-->Ethyl 4,6-dihydroxy-2-(trifluoromethyl)nicotinate-->4,6-dihydroxypyridazine-3-carboxylicacid-->3-AMINOPENTANEDIOIC ACID-->4,6-DICHLORO-3-PYRIDINEMETHANOL-->1,5-DIHYDROXY-PENTAN-3-ONE-->6-Chloro-1H-pyrazolo[4,3-c]pyridine-->Chelidonic acid |
| Hazard Information | Back Directory | [Chemical Properties]
clear colorless to pale yellow liquid | [Uses]
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. |
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