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Merck
CN

165123

Diethyl 1,3-acetonedicarboxylate

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

Key Documents

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Product Name

Diethyl 1,3-acetonedicarboxylate, 96%

InChI key

ZSANYRMTSBBUCA-UHFFFAOYSA-N

InChI

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

SMILES string

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

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

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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)

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
STBH8590
STBH3879
STBF7932V
STBF7039V
STBF0632V

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A synthesis of the pyrazomycins.
S De Bernardo et al.
The Journal of organic chemistry, 41(2), 287-290 (1976-01-23)
Q Ding et al.
Anti-cancer drug design, 15(2), 99-108 (2000-07-20)
A series of novel pyrido[4,3,2-de]quinoline and isoquinolino[6,5,4,3-cde] quinoline compounds was synthesized and evaluated for cytotoxicity in the National Cancer Institute developmental therapeutics program. The tricyclic compound 7 was synthesized by the cyclization of 3,4-diamino-1,2dimethoxybenzene with diethyl 1,3-acetonedicarboxylate. Oxidation of monochloropyrido[4,3,2-de]quinoline
A practical synthesis of (?)-thienamycin.
Melillo DG, et al.
Tetrahedron Letters, 21(29), 2783-2786 (1980)

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