Skip to Content
Merck
All Photos(1)

Key Documents

View All Documentation

165123

Sigma-Aldrich

Diethyl 1,3-acetonedicarboxylate

96%

Synonym(s):

Diethyl 3-oxoglutarate

Sign Into View Organizational & Contract Pricing
All Photos(1)

About This Item

Linear Formula:
CO(CH2COOC2H5)2
CAS Number:
105-50-0
Molecular Weight:
202.20
Beilstein:
640146
EC Number:
203-302-2
MDL number:
MFCD00009200
UNSPSC Code:
12352100
PubChem Substance ID:
24850124
NACRES:
NA.22
form:
liquid
Assay:
96%

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

Looking for similar products? Visit Product Comparison Guide

Application

Diethyl 1,3-acetonedicarboxylate was used in the synthesis of novel pyrido[4,3,2-de]quinoline[1], isoquinolino[6,5,4,3-cde] quinoline[1] and pyrazomycin[2]. It was used as starting reagent in the synthesis of (±)-thienamycin, potent β-lactam antibiotic[3].

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

159.8 °F - closed cup

Flash Point(C)

71 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
STBH8590
STBH3879
STBF7932V
STBF7039V
STBF0632V

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

A practical synthesis of (?)-thienamycin.
Melillo DG, et al.
Tetrahedron Letters, 21(29), 2783-2786 (1980)
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 synthesis of the pyrazomycins.
S De Bernardo et al.
The Journal of organic chemistry, 41(2), 287-290 (1976-01-23)

Questions

Reviews

No rating value

Active Filters

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service