Diethyl 1,3-acetonedicarboxylate

Base Information Edit

Chemical Name:Diethyl 1,3-acetonedicarboxylate
CAS No.:105-50-0
Deprecated CAS:31096-04-5
Molecular Formula:C9H14O5
Molecular Weight:202.207
Hs Code.:29183000
European Community (EC) Number:203-302-2
NSC Number:9013
UNII:Q0CC9NL00V
DSSTox Substance ID:DTXSID1059317
Nikkaji Number:J134.662H
Wikidata:Q72469039
Mol file:105-50-0.mol

Synonyms:Glutaricacid, 3-oxo-, diethyl ester (6CI,7CI,8CI);Glutaric acid, b-oxo-, diethyl ester (4CI);Pentanedioic acid, 3-oxo-, diethylester (9CI);3-Oxopentanedioic acid diethyl ester;Acetonedicarboxylic aciddiethyl ester;Diethyl2-oxopropane-1,3-dicarboxylate;Diethyl 3-ketoglutarate;Diethyl3-oxoglutarate;Diethyl 3-oxopentanedioate;Diethyl acetonedicarboxylate;Diethyl b-ketoglutarate;Diethyl b-oxoglutarate;NSC 9013;b-Ketoglutaric acid diethyl ester;Diethyl acetone-1,3-dicarboxylate;

Suppliers and Price of Diethyl 1,3-acetonedicarboxylate

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
Diethyl3-Oxopentanedioate
50g
$ 85.00

TCI Chemical
Diethyl 1,3-Acetonedicarboxylate >95.0%(GC)
25mL
$ 44.00

TCI Chemical
Diethyl 1,3-Acetonedicarboxylate >95.0%(GC)
500mL
$ 348.00

SynQuest Laboratories
Diethyl 3-oxoglutarate
100 g
$ 132.00

SynQuest Laboratories
Diethyl 3-oxoglutarate
5 g
$ 16.00

SynQuest Laboratories
Diethyl 3-oxoglutarate
25 g
$ 77.00

Sigma-Aldrich
Diethyl 1,3-acetonedicarboxylate 96%
50g
$ 50.10

Sigma-Aldrich
Diethyl 1,3-acetonedicarboxylate 96%
250g
$ 173.00

Matrix Scientific
1,5-Diethyl3-oxopentanedioate 95%+
2.500g
$ 215.00

Matrix Scientific
1,5-Diethyl3-oxopentanedioate 95%+
500mg
$ 87.00

Total 185 raw suppliers

Chemical Property of Diethyl 1,3-acetonedicarboxylate Edit

Chemical Property:

Appearance/Colour:clear colorless to pale yellow liquid
Vapor Pressure:0.0605mmHg at 25°C
Melting Point:125 °C
Refractive Index:n20/D 1.440(lit.)
Boiling Point:250 °C at 760 mmHg
PKA:9.66±0.46(Predicted)
Flash Point:86.1 °C
PSA：69.67000
Density:1.116 g/cm³
LogP:0.46190
Storage Temp.:2-8°C
Sensitive.:Moisture Sensitive
Water Solubility.:10 g/L (20 ºC)
XLogP3:0.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:202.08412354
Heavy Atom Count:14
Complexity:199

Purity/Quality:

99% ^*data from raw suppliers

Diethyl3-Oxopentanedioate ^*data from reagent suppliers

Safty Information:

Pictogram(s): F,Xi
Hazard Codes:F,Xi
Statements: 36/37/38
Safety Statements: 23-24/25-36-26

MSDS Files:: SDS file from LookChem

Useful:

Chemical Classes:Other Classes -> Esters, Other
Canonical SMILES:CCOC(=O)CC(=O)CC(=O)OCC
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.

Technology Process of Diethyl 1,3-acetonedicarboxylate

There total 21 articles about Diethyl 1,3-acetonedicarboxylate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 53.0%

: 64-17-5
ethanol

: 77-92-9,906507-37-7
citric acid

: 105-50-0
diethyl 1,3-acetonedicarboxylate

Guidance literature:: citric acid; With chlorosulfonic acid; In dichloromethane; at 10 ℃; for 5h;

ethanol; In dichloromethane; at 0 - 40 ℃; for 2h;
DOI:10.1021/acs.joc.8b02218