2-Formyl-3-oxo-propanoic acid ethyl ester supplier

Name
Propanoicacid,2-formyl-3-oxo-,ethylester
EINECS 632-882-3
CAS No. 80370-42-9
Article Data15
CAS DataBase
Density 1.143 g/cm³
Solubility
Melting Point
Formula C₆H₈O₄
Boiling Point 181.475 °C at 760 mmHg
Molecular Weight 144.127
Flash Point 67.423 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (Ethoxycarbonyl)malonaldehyde;2-Formyl-3-oxopropanoic acid ethylester;Ethyl 2,2-diformylacetate;Ethyl 2-formyl-3-oxopropanoate;
PSA 60.44000
LogP -0.43650

Synthetic route

: 10601-80-6
ethyl 3,3-diethoxypropanoate

: 109-94-4
formic acid ethyl ester

: 80370-42-9
ethyl 2-formyl-3-oxopropanoate

Conditions

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%

: 3,3-diethoxypropionic acid methyl ester

: 109-94-4
formic acid ethyl ester

: 80370-42-9
ethyl 2-formyl-3-oxopropanoate

Conditions

Conditions	Yield
With sodium hydride In diethyl ether; mineral oil at -10 - 20℃; for 21h; Inert atmosphere;	80%

: 10601-80-6
ethyl 3,3-diethoxypropanoate

: 80370-42-9
ethyl 2-formyl-3-oxopropanoate

Conditions

Conditions	Yield
Multistep reaction;

: 7424-91-1
methyl 3,3-dimethoxypropionate

: 109-94-4
formic acid ethyl ester

: 80370-42-9
ethyl 2-formyl-3-oxopropanoate

Conditions

Conditions	Yield
With sodium hydride 1.) ether; 2.) ether, 5 deg C, 10 h; room temp., overnight; Yield given. Multistep reaction;

: 7424-91-1
methyl 3,3-dimethoxypropionate

: 80370-42-9
ethyl 2-formyl-3-oxopropanoate

Conditions

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

: 80370-42-9
ethyl 2-formyl-3-oxopropanoate

: 16461-94-2
5-amino-4-bromo-1H-pyrazole

: ethyl 3-bromopyrazolo[1,5-a]pyrimidine-6-carboxylate

Conditions

Conditions	Yield
In ethanol for 1.33333h; Reflux;	100%

: 80370-42-9
ethyl 2-formyl-3-oxopropanoate

: 60-34-4
methylhydrazine

: 85290-80-8
ethyl 1-methylpyrazole-4-carboxylate

Conditions

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%

: 80370-42-9
ethyl 2-formyl-3-oxopropanoate

: 15763-11-8
2-hydrazinoadenosine

: 313348-16-2
CVT 3127

Conditions

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%

: 109-84-2
2-hydroxyethylhydrazine

: 80370-42-9
ethyl 2-formyl-3-oxopropanoate

: 782501-73-9
ethyl 1-(2-hydroxyethyl)-1H-pyrazole-4-carboxylate

Conditions

Conditions	Yield
In ethanol at 0 - 20℃; for 48h;	96%
In ethanol at 0 - 20℃;	95%
In ethanol at 0 - 20℃;	95%

: 80370-42-9
ethyl 2-formyl-3-oxopropanoate

: 37622-90-5
4-ethoxycarbonylpyrazole

Conditions

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%

: 80370-42-9
ethyl 2-formyl-3-oxopropanoate

: 15763-11-8
2-hydrazinoadenosine

: 64-19-7
acetic acid

: ethyl 1-{9-[(4S,2R,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-aminopurin-2-yl}pyrazole-4-carboxylate acetate salt

Conditions

Conditions	Yield
In methanol at 80℃; for 3h;	92%

...Expand

: 80370-42-9
ethyl 2-formyl-3-oxopropanoate

: (3-(difluoromethoxy)phenyl)hydrazine hydrochloride

: 1415757-56-0
ethyl 1-(3-(difluoromethoxy)phenyl)-1H-pyrazole-4-carboxylate

Conditions

Conditions	Yield
In ethanol at 0℃;	91%
Stage #1: ethyl 2-formyl-3-oxopropanoate; (3-(difluoromethoxy)phenyl)hydrazine hydrochloride In ethanol at 0℃; Stage #2: With sodium hydrogencarbonate In ethyl acetate	91%

: 80370-42-9
ethyl 2-formyl-3-oxopropanoate

: 479581-64-1
(3-(difluoromethoxy)phenyl)hydrazine hydrochloride

: 1415757-56-0
ethyl 1-(3-(difluoromethoxy)phenyl)-1H-pyrazole-4-carboxylate

Conditions

Conditions	Yield
In ethanol at 0℃;	91%

: 80370-42-9
ethyl 2-formyl-3-oxopropanoate

: 1092566-66-9
3-hydroxymethylbenzamidinium acetate

: 1092566-68-1
ethyl 2-(3-hydroxymethylphenyl)pyrimidine-5-carboxylate

Conditions

Conditions	Yield
With pyridine at 90℃; for 2h;	90%

: 17284-97-8
3-Chloro-6-hydrazinopyridazine

: 80370-42-9
ethyl 2-formyl-3-oxopropanoate

: ethyl 1-(6-chloro-3-pyridazinyl)-1H-pyrazole-4-carboxylate

Conditions

Conditions	Yield
In ethanol at 0 - 20℃; for 24h;	88%

: 80370-42-9
ethyl 2-formyl-3-oxopropanoate

: 31230-17-8
3-methyl-5-aminopyrazole

: 2-methyl-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester

Conditions

Conditions	Yield
With triethylamine; diisopropylamine; N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 0℃; for 0.5h; Reagent/catalyst; Solvent; Temperature;	86.3%

: 80370-42-9
ethyl 2-formyl-3-oxopropanoate

: 539-44-6
N-4-methylphenylhydrazine

: ethyl 1-(4-methylphenyl)-1H-pyrazole-4-carboxylate

Conditions

Conditions	Yield
In ethanol at 0 - 20℃; for 24h;	86%

: 80370-42-9
ethyl 2-formyl-3-oxopropanoate

: 2-hydrazino-N6-methyladenosine

: ethyl 1-(9-((3R,4S,5R)-tetrahydro-3,4-dihydroxy-5-(hydroxymethyl)furan-2-yl)-6-(methylamino)-9H-purin-2-yl)-1H-pyrazole-4-carboxylate

Conditions

Conditions	Yield
In ethanol at 80℃;	85%

: 80370-42-9
ethyl 2-formyl-3-oxopropanoate

: (4-bromo-3-fluorophenyl)-hydrazine

: C12H10BrFN2O2

Conditions

Conditions	Yield
In ethanol at 0 - 20℃; for 18h; Sealed tube;	85%

: 80370-42-9
ethyl 2-formyl-3-oxopropanoate

: 15330-50-4
4-hydrazinylisoquinoline

: ethyl 1-(isoquinolin-4-yl)-1H-pyrazole-4-carboxylate

Conditions

Conditions	Yield
In isopropyl alcohol at 80℃;	84%

: 15108-18-6
2-hydrazinobenzimidazole

: 80370-42-9
ethyl 2-formyl-3-oxopropanoate

: 1193403-34-7
ethyl 1-(1H-benzimidazol-2-yl)-1H-pyrazole-4-carboxylate

Conditions

Conditions	Yield
In tetrahydrofuran; ethanol at 80℃; for 1.5h;	83%
In tetrahydrofuran; ethanol at 80℃; for 1.5h;	83%

: 80370-42-9
ethyl 2-formyl-3-oxopropanoate

: 615-21-4
1,3-benzothiazol-2-ylhydrazine

: ethyl 1-(1,3-benzothiazol-2-yl)-1H-pyrazole-4-carboxylate

Conditions

Conditions	Yield
In tetrahydrofuran; ethanol at 80℃; for 2h;	82%

: 80370-42-9
ethyl 2-formyl-3-oxopropanoate

: 2-hydrazinyl-9H-purin 6-amine

: ethyl 1-(6-amino-9H-purin-2-yl)-1H-pyrazole-4-carboxylate

Conditions

Conditions	Yield
In ethanol for 2h; Reflux;	80%

: 1118-61-2
3-Aminocrotononitrile

: 80370-42-9
ethyl 2-formyl-3-oxopropanoate

: 106944-54-1
5-cyano-6-methylnicotinic acid ethyl ester

Conditions

Conditions	Yield
Stage #1: ethyl 2-formyl-3-oxopropanoate With triethylamine In diethyl ether at 0℃; for 1h; Stage #2: With p-toluenesulfonyl chloride In N,N-dimethyl-formamide at -15 - 20℃; Stage #3: 3-Aminocrotononitrile With pyridine In N,N-dimethyl-formamide at 0 - 70℃; for 10h;	79%

: 80370-42-9
ethyl 2-formyl-3-oxopropanoate

: 371-14-2
4-fluorophenylhydrazine

: 138907-73-0
ethyl 1-(4-fluorophenyl)-1H-pyrazole-4-carboxylate

Conditions

Conditions	Yield
With acetic acid In ethanol for 2h; Heating;	78%

: 109-84-2
2-hydroxyethylhydrazine

: 80370-42-9
ethyl 2-formyl-3-oxopropanoate

: 1006469-47-1
1-(2-hydroxy-ethyl)-1H-pyrazole-4-carboxylic acid

Conditions

Conditions	Yield
Stage #1: 2-hydroxyethylhydrazine; ethyl 2-formyl-3-oxopropanoate In ethanol at 0 - 20℃; Stage #2: With ethanol; lithium hydroxide	77.1%

: 897036-61-2
2-(2-hydrazinophenoxy)-5-methylphenol

: 80370-42-9
ethyl 2-formyl-3-oxopropanoate

: 1-[2-(2-hydroxy-4-methylphenoxy)phenyl]-1H-pyrazole-4-carboxylic acid ethyl ester

Conditions

Conditions	Yield
With sodium acetate In ethanol for 3h; Heating / reflux;	77%

: 80370-42-9
ethyl 2-formyl-3-oxopropanoate

: 80-17-1
benzenesufonyl hydrazide

: ethyl 1-benzenesulfonyl-1H-pyrazole-4-carboxylate

Conditions

Conditions	Yield
In ethanol at 0 - 20℃; for 24h;	75%

: 5-(4-fluorophenyl)-1H-pyrazol-3-amine

: 80370-42-9
ethyl 2-formyl-3-oxopropanoate

: 2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester

Conditions

Conditions	Yield
In ethanol at 80℃; for 3h; Inert atmosphere;	74.5%

: 80370-42-9
ethyl 2-formyl-3-oxopropanoate

: benzyl 4-(2-benzoylhydrazino)-4-(trifluoromethyl)piperidine-1-carboxylate

: ethyl 1-[4-(trifluoromethyl)-4-piperidyl]pyrazole-4-carboxylate

Conditions

Conditions	Yield
With hydrogenchloride In 1,4-dioxane	73.13%

: 80370-42-9
ethyl 2-formyl-3-oxopropanoate

: 9-allyl 2-benzhydryl (2S,4aS,6aS,6bR,8aR,9S,10S,12aS,12bR,14bR)-10-hydrazinyl-2,4a,6a,6b,9,12a-hexamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2,9-dicarboxylate dihydrochloride

: 9-allyl 2-benzhydryl (2S,4aS,6aS,6bR,8aR,9S,10S,12aS,12bR,14bR)-10-(4-(ethoxycarbonyl)-1H-pyrazol-1-yl)-2,4a,6a,6b,9,12a-hexamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2,9-dicarboxylate

Conditions

Conditions	Yield
In ethanol at 20℃; for 2h;	72%

: 739366-03-1
3-(methoxymethyl)-1H-pyrazol-5-amine

: 80370-42-9
ethyl 2-formyl-3-oxopropanoate

: 739366-04-2
ethyl 2-methoxymethylpyrazolo[1,5-a]pyrimidine-6-carboxylate

Conditions

Conditions	Yield
In ethanol	69%

: 80370-42-9
ethyl 2-formyl-3-oxopropanoate

: 1073-70-7
4-chlorophenylhydrazine hydrochloride

: 110821-33-5
ethyl 1-(4-chlorophenyl)-1H-pyrazole-4-carboxylate

Conditions

Conditions	Yield
In ethanol at 0 - 20℃; for 24h;	68%

2-Formyl-3-oxo-propanoic acid ethyl ester Specification

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

Product Name

Propanoicacid,2-formyl-3-oxo-,ethylester

Synthetic route

2-Formyl-3-oxo-propanoic acid ethyl ester Specification

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