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CAS No.: | 80370-42-9 |
---|---|
Name: | Propanoicacid,2-formyl-3-oxo-,ethylester |
Article Data: | 15 |
Molecular Structure: | |
Formula: | C6H8O4 |
Molecular Weight: | 144.127 |
Synonyms: | (Ethoxycarbonyl)malonaldehyde;2-Formyl-3-oxopropanoic acid ethylester;Ethyl 2,2-diformylacetate;Ethyl 2-formyl-3-oxopropanoate; |
EINECS: | 632-882-3 |
Density: | 1.143 g/cm3 |
Boiling Point: | 181.475 °C at 760 mmHg |
Flash Point: | 67.423 °C |
PSA: | 60.44000 |
LogP: | -0.43650 |
ethyl 3,3-diethoxypropanoate
formic acid ethyl ester
ethyl 2-formyl-3-oxopropanoate
Conditions | Yield |
---|---|
With sodium hydride In diethyl ether at 0 - 20℃; for 15h; | 100% |
With sodium hydride In diethyl ether at 0 - 20℃; for 15h; | 100% |
With sodium hydride In tetrahydrofuran at 0 - 20℃; | 99.7% |
formic acid ethyl ester
ethyl 2-formyl-3-oxopropanoate
Conditions | Yield |
---|---|
With sodium hydride In diethyl ether; mineral oil at -10 - 20℃; for 21h; Inert atmosphere; | 80% |
ethyl 3,3-diethoxypropanoate
ethyl 2-formyl-3-oxopropanoate
Conditions | Yield |
---|---|
Multistep reaction; |
methyl 3,3-dimethoxypropionate
formic acid ethyl ester
ethyl 2-formyl-3-oxopropanoate
Conditions | Yield |
---|---|
With sodium hydride 1.) ether; 2.) ether, 5 deg C, 10 h; room temp., overnight; Yield given. Multistep reaction; |
methyl 3,3-dimethoxypropionate
ethyl 2-formyl-3-oxopropanoate
Conditions | Yield |
---|---|
Stage #1: formic acid ethyl ester With sodium hydride In diethyl ether at 0℃; Argon atmosphere; Stage #2: methyl 3,3-dimethoxypropionate at 0 - 20℃; for 1.66667h; Argon atmosphere; Stage #3: With water |
ethyl 2-formyl-3-oxopropanoate
5-amino-4-bromo-1H-pyrazole
Conditions | Yield |
---|---|
In ethanol for 1.33333h; Reflux; | 100% |
ethyl 2-formyl-3-oxopropanoate
methylhydrazine
ethyl 1-methylpyrazole-4-carboxylate
Conditions | Yield |
---|---|
In ethanol at 5 - 20℃; Time; | 99.1% |
In ethanol at 5 - 20℃; for 16h; Time; | 99% |
In ethanol at 5 - 20℃; Concentration; Time; | 99.1% |
Conditions | Yield |
---|---|
With polyethylene glycol-600 In water at 45 - 55℃; | 98.12% |
In water at 30 - 50℃; Temperature; | 95% |
With acetic acid In methanol at 80℃; for 3h; | 91% |
2-hydroxyethylhydrazine
ethyl 2-formyl-3-oxopropanoate
ethyl 1-(2-hydroxyethyl)-1H-pyrazole-4-carboxylate
Conditions | Yield |
---|---|
In ethanol at 0 - 20℃; for 48h; | 96% |
In ethanol at 0 - 20℃; | 95% |
In ethanol at 0 - 20℃; | 95% |
ethyl 2-formyl-3-oxopropanoate
4-ethoxycarbonylpyrazole
Conditions | Yield |
---|---|
With hydrazine dihydrochloride In ethanol at 0 - 20℃; for 32h; | 92% |
With hydrazine In ethanol at 0 - 20℃; for 24h; | 86% |
With hydrazine In ethanol at 0 - 20℃; for 17h; | 72.4% |
With hydrazine In ethanol at 20℃; for 17h; | 72.4% |
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The 2-Formyl-3-oxo-propanoic acid ethyl ester is an organic compound with the formula C6H8O4. The systematic name of this chemical is ethyl 2-formyl-3-oxopropanoate. With the CAS registry number 80370-42-9, it is also named as Ethyl 2-formyl-3-oxopropanoate.
Physical properties about 2-Formyl-3-oxo-propanoic acid ethyl ester are: (1)ACD/LogP: -0.61; (2)ACD/LogD (pH 5.5): -1; (3)ACD/LogD (pH 7.4): -1; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 60.44 Å2; (11)Index of Refraction: 1.421; (12)Molar Refractivity: 31.953 cm3; (13)Molar Volume: 126.072 cm3; (14)Polarizability: 12.667×10-24cm3; (15)Surface Tension: 36.907 dyne/cm; (16)Density: 1.143 g/cm3; (17)Flash Point: 67.423 °C; (18)Enthalpy of Vaporization: 41.773 kJ/mol; (19)Boiling Point: 181.475 °C at 760 mmHg; (20)Vapour Pressure: 0.85 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=CC(C=O)C(=O)OCC
(2)InChI: InChI=1/C6H8O4/c1-2-10-6(9)5(3-7)4-8/h3-5H,2H2,1H3
(3)InChIKey: HMFLBGNCDZYITR-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C6H8O4/c1-2-10-6(9)5(3-7)4-8/h3-5H,2H2,1H3
(5)Std. InChIKey: HMFLBGNCDZYITR-UHFFFAOYSA-N