3-Oxopropanoic acid supplier

Name
3-oxopropanoic acid
EINECS
CAS No. 926-61-4
Article Data42
CAS DataBase
Density 1.258 g/cm³
Solubility
Melting Point
Formula C₃H₄O₃
Boiling Point 237.3 °C at 760 mmHg
Molecular Weight 88.063
Flash Point 111.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Malonaldehydicacid (6CI,7CI,8CI);3-Oxopropionic acid;Acetic acid,formyl-;Formylacetic acid;Malonic semialdehyde;
PSA 54.37000
LogP -0.34000

Synthetic route

: 97-67-6
(S)-Malic acid

: 5435-44-9, 22243-66-9
(E)-3-Ureido-but-2-enoic acid ethyl ester

A: 500-05-0
2H-pyran-2-one-5-carboxylic acid

B: 926-61-4
3-oxopropanoic acid

...Expand

: 6214-29-5, 23548-96-1, 6162-52-3
3-methoxy-2-propen-1-oic acid

: 926-61-4
3-oxopropanoic acid

Conditions

Conditions	Yield
With sulfuric acid

: 97-67-6
(S)-Malic acid

: 5435-44-9, 22243-66-9
(E)-3-Ureido-but-2-enoic acid ethyl ester

: 108-95-2
phenol

A: 926-61-4
3-oxopropanoic acid

B: 91-64-5
coumarin

Conditions

Conditions	Yield
analoge Reaktionen mit anderen ein- und mehrwertigen Phenolen;

...Expand

: 23220-67-9
(E)-β-morpholino acrylonitrile

: 926-61-4
3-oxopropanoic acid

Conditions

Conditions	Yield
With hydrogenchloride at 80℃;

: 874-14-6
1,3-dimethyluracil

: 926-61-4
3-oxopropanoic acid

Conditions

Conditions	Yield
With tetramethyl ammoniumhydroxide

: 625-38-7
but-3-enoic acid

A: 50-00-0
formaldehyd

B: 926-61-4
3-oxopropanoic acid

Conditions

Conditions	Yield
With potassium bromate; thallium(III) sulfate; sulfuric acid In water; acetic acid at 40℃; for 60h; Rate constant; Mechanism; Thermodynamic data; other mineral acid; other metal ion; E(excit.), ΔH(excit.), ΔS(excit.), ΔG(excit.);

: 56-84-8
L-Aspartic acid

: 127-65-1
chloroamine-T

A: 926-61-4
3-oxopropanoic acid

B: 70-55-3
toluene-4-sulfonamide

Conditions

Conditions	Yield
With perchloric acid; sodium perchlorate; chloride In water at 39.9℃; Rate constant; Mechanism; Thermodynamic data; in absence or presence of methanol, add of PTS, variation of ionic strength; ΔH(excit.), -ΔS(excit.), ΔG(excit.);

...Expand

: 56-84-8
L-Aspartic acid

: 926-61-4
3-oxopropanoic acid

Conditions

Conditions	Yield
With perchloric acid; N-bromoacetamide In water at 29.9℃; for 12h; Rate constant; Kinetics; Thermodynamic data; mechanism, ΔF (exit), ΔH (exit), ΔS (exit);
With manganese(II) sulfate; manganese(III) sulfate; sulfuric acid; sodium perchlorate; sodium sulfate In water at 29.9℃; Rate constant; Thermodynamic data; Mechanism; var. of reagents, conc., ratio, ionic strength, pH, additives, dielectric const. of solvent, Ea, ΔH(excit.), ΔS(excit.), ΔG(excit.);
With perchloric acid; ammonium cerium(IV) nitrate; nitric acid In water at 35℃; Rate constant; Mechanism; var. ratio;
With perchloric acid; N-bromoacetamide In water at 29.9℃; for 12h;
With potassium permanganate; sulfuric acid at 39.85℃; Kinetics; Further Variations:; Temperatures; conc. of H2SO4; Deamination; decarboxylation;

: 617-48-1
malic acid

: 926-61-4
3-oxopropanoic acid

Conditions

Conditions	Yield
With manganese(III) pyrophosphate; sulfuric acid In water at 35℃; for 72h; Rate constant; Mechanism; Thermodynamic data; further reagents - Mn(2+), H2SO4;
With potassium bromate; hydrogenchloride; water Rate constant; Thermodynamic data; kobs vs. substrate concentration at 35 deg C and vs. HCl concentration at 40 deg C; ΔH(excit), ΔS(excit) (temp.-range 30-45 deg C);
With sodium hydroxide; sodium hypochlorite In water var. pH values; other hydroxyacids;
With perchloric acid; mercury(II) diacetate; acetic acid In water at 313℃; Kinetics; Temperature; Concentration;

: 69388-84-7
sodium sulbactam

A: 926-61-4
3-oxopropanoic acid

B: 98462-04-5
2-amino-3-methyl-3-sulfinobutanoic acid

Conditions

Conditions	Yield
With borate buffer at 65℃; for 1.5h;

: 617-45-8
aspartic Acid

: 79-15-2
N-bromoacetamide

A: 60-35-5
acetamide

B: 926-61-4
3-oxopropanoic acid

Conditions

Conditions	Yield
With sodium hydroxide at 30℃; Mechanism; Thermodynamic data; activation energy, ΔG(excit.);

...Expand

: 617-45-8
aspartic Acid

: 926-61-4
3-oxopropanoic acid

Conditions

Conditions	Yield
With dipotassium peroxodisulfate; silver nitrate In water at 33℃; Rate constant; Thermodynamic data; Mechanism; ΔE(activ.); ΔH(activ.); ΔS(activ.); presence of allyl acetate.;
With [2,2]bipyridinyl; perchloric acid; ammonium cerium(IV) nitrate; silver(I) In water at 50℃; Kinetics; Rate constant; Mechanism; var. of conc., pH, ionic strength, temp., without bipyridyl;
With sulfuric acid; manganese(III) ion at 40℃; Kinetics; Temperature;

: 141-82-2
malonic acid

: 926-61-4
3-oxopropanoic acid

Conditions

Conditions	Yield
With chloroamine-T; hypochloric acid In water at 30℃; Kinetics; Mechanism; var. pH, var. temp.;

: 617-48-1
malic acid

A: 926-61-4
3-oxopropanoic acid

B: 124-38-9
carbon dioxide

Conditions

Conditions	Yield
With ruthenium trichloride; perchloric acid; bromate salt; sulfuric acid; mercury(II) diacetate In water at 19.9 - 39.9℃; Rate constant;

: 56-84-8
L-Aspartic acid

A: 926-61-4
3-oxopropanoic acid

B: 124-38-9
carbon dioxide

Conditions

Conditions	Yield
With hydrogenchloride; N-chloronicotinamide; sodium perchlorate In acetic acid at 39.85℃; for 12h; Kinetics; Further Variations:; Temperatures; concentration of amino acid; concentration of reagents; Oxidation;

3-carboxyimino-propionic acid ( disodium salt): 3-carboxyimino-propionic acid ( disodium salt)

: 926-61-4
3-oxopropanoic acid

Conditions

Conditions	Yield
With sulfuric acid

: 97-67-6
(S)-Malic acid

: 7664-93-9
sulfuric acid

A: 64-18-6
formic acid

B: 926-61-4
3-oxopropanoic acid

Conditions

Conditions	Yield
die Produkte zerfallen weiter in Acetaldehyd,Kohlendioxyd,Kohlenoxyd und Wasser;

...Expand

: 97-67-6
(S)-Malic acid

: 7664-93-9
sulfuric acid

: 108-95-2
phenol

A: 926-61-4
3-oxopropanoic acid

B: 91-64-5
coumarin

Conditions

Conditions	Yield
analoge Reaktionen mit anderen ein- und mehrwertigen Phenolen;

...Expand

: 56-84-8
L-Aspartic acid

A: 926-61-4
3-oxopropanoic acid

B CO2: CO2

Conditions

Conditions	Yield
With mercury(II) diacetate; N-bromoacetamide In acetic acid at 30℃; Kinetics; Mechanism; Thermodynamic data; other temperatures, E(act.), ΔH(excit.), ΔS(excit.), ΔG(excit.); various solvent concentrations, effect of added salts;

: 617-48-1
malic acid

A: 926-61-4
3-oxopropanoic acid

B CO2: CO2

Conditions

Conditions	Yield
With N-Bromosuccinimide; perchloric acid; mercury(II) diacetate; palladium dichloride at 35℃; Rate constant; Kinetics; Mechanism; energy data: ΔE(a), ΔH(excit.), ΔS(excit.), ΔG(excit.); various NBS, PdCl2 and HClO4 concentrations; also in the presence of var. amounts of NaCl; other hydroxyacids;

: 56-84-8
L-Aspartic acid

A: 926-61-4
3-oxopropanoic acid

B NH3, CO2: NH3, CO2

Conditions

Conditions	Yield
With potassium peroxydiphosphate; sulfuric acid; ruthenium trichloride at 39.9℃; Kinetics; Mechanism; Thermodynamic data; ΔH(excit.), ΔS(excit.), other temperatures;

: 56-84-8
L-Aspartic acid

A: 926-61-4
3-oxopropanoic acid

B: 124-38-9
carbon dioxide

C NH3: NH3

Conditions

Conditions	Yield
With sodium hydroxide; bromamine T In water at 20℃; Thermodynamic data; Kinetics; Mechanism; Ea, ΔH(excit.), ΔS(excit.), ΔG(excit.), solvent isotopic effect;

...Expand

: 64-17-5
ethanol

: 110556-14-4
S-benzyl thiosuccinic acid

Raney nickel: Raney nickel

A: 96-48-0
4-butanolide

B: 926-61-4
3-oxopropanoic acid

...Expand

: 97-67-6
(S)-Malic acid

: 7664-93-9
sulfuric acid

A: 500-05-0
2H-pyran-2-one-5-carboxylic acid

B: 926-61-4
3-oxopropanoic acid

...Expand

: 56-84-8
L-Aspartic acid

A: 926-61-4
3-oxopropanoic acid

B: 372-09-8
cyanoacetic acid

Conditions

Conditions	Yield
With perchloric acid; sodium dodecyl-sulfate; chloroamine-T at 35℃; Kinetics; Further Variations:; Temperatures; Reagents;

: 107-95-9
3-amino propanoic acid

: 926-61-4
3-oxopropanoic acid

Conditions

Conditions	Yield
With oxone In acetate buffer at 35℃; for 48h; pH=4.2; Kinetics; Further Variations:; pH-values; Temperatures;
With oxone In acetate buffer at 20.84℃; pH=4.2; Activation energy; Further Variations:; Temperatures;
With α-ketoglutarate Enzyme kinetics;

: 302-84-1
serin

: 7782-77-6
cis-nitrous acid

: 926-61-4
3-oxopropanoic acid

: 127-17-3
2-oxo-propionic acid

: 107-95-9
3-amino propanoic acid

A: 56-41-7
L-alanin

B: 926-61-4
3-oxopropanoic acid

Conditions

Conditions	Yield
With pyridoxal 5'-phosphate; recombinant ω-transaminase from Burkholderia vietnamiensis G4 In aq. phosphate buffer at 37℃; for 0.0833333h; pH=7.4; Enzymatic reaction; enantioselective reaction;

...Expand

: 1783-96-6
(2R)-aspartic acid

: 65-22-5
pyridoxal hydrochloride

A: 926-61-4
3-oxopropanoic acid

B: 85-87-0
pyridoxamine

Conditions

Conditions	Yield
In ethanol; water for 0.5h; Kinetics;

...Expand

: 926-61-4
3-oxopropanoic acid

: 141-82-2
malonic acid

Conditions

Conditions	Yield
With C4H11FeMo6NO24(3-)*3C16H36N(1+); water; oxygen; sodium carbonate at 50℃; under 760.051 Torr; for 8h; Green chemistry;	99%
With 4H3N4H(1+)CuMo6O18(OH)6(4-); water; oxygen; sodium carbonate at 50℃; under 760.051 Torr; for 12h;	93%

: 926-61-4
3-oxopropanoic acid

: 1279816-33-9
methyl 3-bromophenethylcarbamate

: 6-bromo-2-methoxycarbonyl-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid

Conditions

Conditions	Yield
With sulfuric acid In tetrahydrofuran Reflux;	91.3%

: 4930-98-7
pyrid-2-ylhydrazine

: 926-61-4
3-oxopropanoic acid

: 126583-31-1
5-hydroxy-1-(2-pyridyl)-1H-pyrazole

Conditions

Conditions	Yield
In ethanol at 0 - 100℃; for 72h;	90%

: 926-61-4
3-oxopropanoic acid

: 486460-21-3
3-trifluoromethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

: C9H9F3N4O2

Conditions

Conditions	Yield
Stage #1: 3-oxopropanoic acid With thionyl chloride; sulfuric acid In dichloromethane; N,N-dimethyl-formamide for 6h; Heating; Stage #2: 3-trifluoromethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine With triethylamine In dichloromethane; N,N-dimethyl-formamide at 0 - 20℃; for 2h; Solvent; Temperature; Reagent/catalyst;	75.3%

: 926-61-4
3-oxopropanoic acid

: 586-89-0
4-acetyl-benzoic acid

: 60-34-4
methylhydrazine

: 4-(1-methyl-6-oxo-1,6-dihydro-pyridazin-3-yl)-benzoic acid

Conditions

Conditions	Yield
Stage #1: 3-oxopropanoic acid; 4-acetyl-benzoic acid In acetic acid at 110℃; for 20h; Stage #2: methylhydrazine With ammonia In water for 5h; pH=9; Heating / reflux; Stage #3: With hydrogenchloride pH=1 - 2;	33%

...Expand

: 926-61-4
3-oxopropanoic acid

: 63-91-2
L-phenylalanine

: 56211-79-1
N-(2-carboxy-ethyl)-L-phenylalanine

Conditions

Conditions	Yield
Hydrierung des Reaktionsprodukts an Platin in Wasser oder Essigsaeure;

: 926-61-4
3-oxopropanoic acid

: 19077-97-5
N-(4-{[(aminoiminomethyl)amino]sulfonyl}phenyl)acetamide

: 70800-62-3
N-acetyl-sulfanilic acid-(6-oxo-1,6-dihydro-pyrimidin-2-ylamide)

: 926-61-4
3-oxopropanoic acid

: 57-67-0
1-amino-4-({[amino(imino)methyl]amino}sulfonyl)benzene

: 56305-66-9
sulfanilic acid-(6-oxo-1,6-dihydro-pyrimidin-2-ylamide)

: 926-61-4
3-oxopropanoic acid

: 7732-18-5
water

sodium periodate: sodium periodate

A: 64-18-6
formic acid

B: 124-38-9
carbon dioxide

...Expand

3-Oxopropanoic acid Specification

The Propanoic acid, 3-oxo-, with the CAS registry number of 926-61-4, is also known as formylacetic acid. In addition, the molecular formula is C₃H₄O₃ and the molecular weight is 88.06. What's more, its systematic name is called 3-oxopropanoic acid. And it should be stored in a cool and dry place.

Physical properties about Propanoic acid, 3-oxo- are: (1)ACD/LogP: -0.52; (2)ACD/LogD (pH 5.5): -2.33; (3)ACD/LogD (pH 7.4): -3.95; (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: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 43.37 Å²; (12)Index of Refraction: 1.419; (13)Molar Refractivity: 17.69 cm³; (14)Molar Volume: 69.9 cm³; (15)Polarizability: 7.01 ×10^-24cm³; (16)Surface Tension: 45.8 dyne/cm; (17)Density: 1.258 g/cm³; (18)Flash Point: 111.6 °C; (19)Enthalpy of Vaporization: 52.23 kJ/mol; (20)Boiling Point: 237.3 °C at 760 mmHg; (21)Vapour Pressure: 0.0154 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=CCC(=O)O
(2)Std.InChI: InChI=1S/C3H4O3/c4-2-1-3(5)6/h2H,1H2,(H,5,6)
(3)Std.InChIKey: OAKURXIZZOAYBC-UHFFFAOYSA-N

Product Name

3-oxopropanoic acid

Synthetic route

3-Oxopropanoic acid Specification

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