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CAS No.: | 108-56-5 |
---|---|
Name: | Diethyl oxalacetate |
Article Data: | 47 |
Molecular Structure: | |
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 |
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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