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165123

Diethyl 1,3-acetonedicarboxylate

Name: Diethyl 1,3-acetonedicarboxylate
Brand: ALDRICH

96%

Synonym(s):

Diethyl 3-oxoglutarate

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About This Item

Linear Formula:

CO(CH₂COOC₂H₅)₂

CAS Number:

105-50-0

Molecular Weight:

202.20

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24850124

EC Number:

203-302-2

Beilstein/REAXYS Number:

640146

MDL number:

MFCD00009200

Assay:

96%

Form:

liquid

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Properties

assay

96%

form

liquid

refractive index

n20/D 1.440 (lit.)

bp

250 °C (lit.)

density

1.113 g/mL at 25 °C (lit.)

functional group

ester, ketone

SMILES string

CCOC(=O)CC(=O)CC(=O)OCC

InChI

1S/C9H14O5/c1-3-13-8(11)5-7(10)6-9(12)14-4-2/h3-6H2,1-2H3

InChI key

ZSANYRMTSBBUCA-UHFFFAOYSA-N

Description

Application

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.

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

159.8 °F - closed cup

flash_point_c

71 °C - closed cup

ppe

Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)

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