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Diethyl oxalacetate

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Name

Diethyl oxalacetate

EINECS 203-594-1
CAS No. 108-56-5 Density 1.143 g/cm3
PSA 72.83000 LogP 0.55450
Solubility Insoluble in water Melting Point <25 °C
Formula C8H12O5 Boiling Point 254.223 °C at 760 mmHg
Molecular Weight 188.18 Flash Point 106.406 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 108-56-5 (Diethyl oxalacetate) Hazard Symbols N/A
Synonyms

Butanedioicacid, oxo-, diethyl ester (9CI);Oxalacetic acid, diethyl ester (6CI,7CI,8CI);2-Oxobutanedioic acid diethyl ester;Diethyl 2-oxosuccinate;Diethyl oxobutanedioate;Diethyloxosuccinate;NSC 68476;Oxalacetic ester;

Article Data 47

Diethyl oxalacetate Synthetic route

40876-98-0, 88330-76-1, 125898-38-6

sodium 1,4-diethoxy-1,4-dioxobut-2-en-2-olate

108-56-5

diethyl oxaloacetate

Conditions
ConditionsYield
With hydrogenchloride In diethyl ether; water83%
141-78-6

ethyl acetate

95-92-1

oxalic acid diethyl ester

108-56-5

diethyl oxaloacetate

Conditions
ConditionsYield
Stage #1: oxalic acid diethyl ester With sodium ethanolate In benzene at 0℃; Inert atmosphere;
Stage #2: ethyl acetate In benzene at 0 - 20℃; for 14.5h; Inert atmosphere;
74%
With diethyl ether; sodium ethanolate Behandeln in Wasser mit verduennter Schwefelsaeure in Gegenwart von Aether;
With diethyl ether; sodium Behandeln in Wasser mit verduennter Schwefelsaeure in Gegenwart von Aether;
762-21-0

acetylenedicarboxylic acid diethyl ester

108-56-5

diethyl oxaloacetate

Conditions
ConditionsYield
With water; platinum(II) chloride In methanol at 60℃;42%
463-51-4

Ketene

79-37-8

oxalyl dichloride

108-56-5

diethyl oxaloacetate

Conditions
ConditionsYield
With chloroform at 65℃; Behandeln des Reaktionsprodukts mit Aethanol.;
19064-79-0

Acetoxymaleinsaeureanhydrid

64-17-5

ethanol

A

141-78-6

ethyl acetate

B

108-56-5

diethyl oxaloacetate

19064-79-0

Acetoxymaleinsaeureanhydrid

64-17-5

ethanol

108-56-5

diethyl oxaloacetate

2409-52-1

diethylitaconate

108-56-5

diethyl oxaloacetate

Conditions
ConditionsYield
bei der Ozonspaltung;
60-29-7

diethyl ether

141-52-6

sodium ethanolate

141-78-6

ethyl acetate

95-92-1

oxalic acid diethyl ester

108-56-5

diethyl oxaloacetate

64-17-5

ethanol

141-52-6

sodium ethanolate

141-78-6

ethyl acetate

95-92-1

oxalic acid diethyl ester

108-56-5

diethyl oxaloacetate

463-51-4

Ketene

67-66-3

chloroform

4755-77-5

Ethyl oxalyl chloride

A

108153-39-5

4,6-dioxo-5,6-dihydro-4H-pyran-2-carboxylic acid ethyl ester

B

95-92-1

oxalic acid diethyl ester

C

108-56-5

diethyl oxaloacetate

Conditions
ConditionsYield
anschliessenden Erwaermen mit Aethanol;

Diethyl oxalacetate Specification

The Diethyl oxalacetate with cas registry number of 108-56-5, has the systematic name of diethyl 2-oxobutanedioate. And its IUPAC name is the same one. Besides this, it is also named Butanedioic acid, oxo-, diethyl ester.

Physical properties about this chemical are: (1)ACD/LogP: 0.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.68; (4)ACD/LogD (pH 7.4): 0.59; (5)ACD/BCF (pH 5.5): 1.93; (6)ACD/BCF (pH 7.4): 1.56; (7)ACD/KOC (pH 5.5): 55.65; (8)ACD/KOC (pH 7.4): 44.95; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 69.67 Å2; (13)Index of Refraction: 1.431; (14)Molar Refractivity: 42.69 cm3; (15)Molar Volume: 164.6 cm3; (16)Polarizability: 16.92×10-24cm3; (17)Surface Tension: 36.5 dyne/cm; (18)Enthalpy of Vaporization: 49.16 kJ/mol; (19)Vapour Pressure: 0.0175 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: O=C(C(=O)OCC)CC(=O)OCC;
(2)InChI: InChI=1/C8H12O5/c1-3-12-7(10)5-6(9)8(11)13-4-2/h3-5H2,1-2H3;
(3)InChIKey: JDXYSCUOABNLIR-UHFFFAOYAC;
(4)Std. InChI: InChI=1S/C8H12O5/c1-3-12-7(10)5-6(9)8(11)13-4-2/h3-5H2,1-2H3;
(5)Std. InChIKey: JDXYSCUOABNLIR-UHFFFAOYSA-N

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