Product

Diethyl 1,3-acetonedicarboxylate

CAS No.：105-50-0

Other grades of this product :

Diethyl 1,3-acetonedicarboxylate Basic information

Product Name:	Diethyl 1,3-acetonedicarboxylate
Synonyms:	Diethyl 1,3-acetonedicarboxylate ,94%;Diethyl 1,3-acetonedicarboxylate ,96%;Diethyl 1,3-acetonedicarboxylate,Diethyl 3-oxoglutarate;Diethyl-3-oxo-pentan;Diethyl β-ketoglutarate;Diethyl 3-oxopentane-1,5-dioate, Diethyl acetone-1,3-dicarboxylate;Diethyl 1,3-acetonedicarboxylate, 95% 50ML;3-Oxopentanedioic acid, diethyl ester
CAS:	105-50-0
MF:	C9H14O5
MW:	202.2
EINECS:	203-302-2
Product Categories:	Building Blocks;C8 to C9;Carbonyl Compounds;Chemical Synthesis;Esters;Organic Building Blocks;Pharmaceutical Intermediates;straight chain compounds;API intermediates;API;bc0001
Mol File:	105-50-0.mol

Diethyl 1,3-acetonedicarboxylate Chemical Properties

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.	Sealed in dry,2-8°C
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
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	Pentanedioic acid, 3-oxo-, diethyl ester (105-50-0)

Safety Information

Hazard Codes	F,Xi
Risk Statements	36/37/38
Safety Statements	23-24/25-36-26
RIDADR	UN 2810
WGK Germany	3
Hazard Note	Flammable/Moisture Sensitive
TSCA	Yes
HS Code	29183000

MSDS Information

Provider	Language
Diethyl 1,3-acetonedicarboxylate	English
SigmaAldrich	English
ACROS	English
ALFA	English

Diethyl 1,3-acetonedicarboxylate Usage And Synthesis

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.

Diethyl 1,3-acetonedicarboxylate Preparation Products And Raw materials

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

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