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| CAS No.: | 108-56-5 |
|---|---|
| Name: | Diethyl oxalacetate |
| Molecular Structure: | |
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| Formula: | C8H12O5 |
| Molecular Weight: | 188.18 |
| 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; |
| EINECS: | 203-594-1 |
| Density: | 1.143 g/cm3 |
| Melting Point: | <25 °C |
| Boiling Point: | 254.223 °C at 760 mmHg |
| Flash Point: | 106.406 °C |
| Solubility: | Insoluble in water |
| PSA: | 72.83000 |
| LogP: | 0.55450 |

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


diethyl oxaloacetate

| Conditions | Yield |
|---|---|
| With hydrogenchloride In diethyl ether; water | 83% |

| Conditions | Yield |
|---|---|
| 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; |

| Conditions | Yield |
|---|---|
| With water; platinum(II) chloride In methanol at 60℃; | 42% |

| Conditions | Yield |
|---|---|
| With chloroform at 65℃; Behandeln des Reaktionsprodukts mit Aethanol.; |

Acetoxymaleinsaeureanhydrid


ethanol

A

ethyl acetate

B

diethyl oxaloacetate


| Conditions | Yield |
|---|---|
| bei der Ozonspaltung; |

diethyl ether


sodium ethanolate


ethyl acetate


oxalic acid diethyl ester


diethyl oxaloacetate


ethanol


sodium ethanolate


ethyl acetate


oxalic acid diethyl ester


diethyl oxaloacetate


Ketene


chloroform


Ethyl oxalyl chloride

A

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

B

oxalic acid diethyl ester

C

diethyl oxaloacetate

| Conditions | Yield |
|---|---|
| anschliessenden Erwaermen mit Aethanol; |

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