ChemicalBook--->CAS DataBase List--->105-50-0

105-50-0

105-50-0 Structure

105-50-0 Structure
IdentificationMore
[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 PropertiesBack 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
[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 DataBack 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 ProductsBack 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
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Diethyl 1,3-acetonedicarboxylate(105-50-0).msds
Hazard InformationBack 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.
Spectrum DetailBack Directory
[Spectrum Detail]

Diethyl 1,3-acetonedicarboxylate(105-50-0)MS
Diethyl 1,3-acetonedicarboxylate(105-50-0)1HNMR
Diethyl 1,3-acetonedicarboxylate(105-50-0)13CNMR
Diethyl 1,3-acetonedicarboxylate(105-50-0)IR1
Diethyl 1,3-acetonedicarboxylate(105-50-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Diethyl 1,3-acetonedicarboxylate, 95%(105-50-0)
[Alfa Aesar]

Diethyl acetone-1,3-dicarboxylate, 96%(105-50-0)
[Sigma Aldrich]

105-50-0(sigmaaldrich)
[TCI AMERICA]

Diethyl 1,3-Acetonedicarboxylate,>95.0%(GC)(105-50-0)
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