3-Penten-2-one supplier | CasNO.625-33-2

Name
3-Penten-2-one
EINECS 210-888-3
CAS No. 625-33-2
Article Data95
CAS DataBase
Density 0.862 g/mL at 25 °C(lit.)
Solubility slightly soluble in Water
Melting Point
Formula C5H8 O
Boiling Point 121-124 °C(lit.)
Molecular Weight 84.1179
Flash Point 70 °c
Transport Information UN 1992
Appearance colourless liquid with a pungent odour
Safety Moderately toxic by ingestion, inhalation, and skin contact. A skin and eye irritant. Flammable when exposed to heat or flame; can react with oxidizing materials. To fight fire, use foam, CO₂, dry chemical. When heated to decomposition it emits acrid smoke and irritating fumes. See also KETONES.
Risk Codes 11-21-36/37/38
Molecular Structure
Hazard Symbols FXn
Synonyms 2-Oxo-3-pentene;2-Penten-4-one; Ethylideneacetone; Methyl 1-propenyl ketone; Methyl propenylketone; NSC 61468
PSA 17.07000
LogP 1.15150

Synthetic route

: 4161-60-8
4-hydroxypentan-2-one

A: 625-33-2
3-penten-2-one

B: 97006-76-3
2,2,4-trifluoropentane

Conditions

Conditions	Yield
With sulfur tetrafluoride; sodium fluoride at 20℃; for 3h; autoclave;	A 80% B 20%
With sulfur tetrafluoride; sodium fluoride at 20℃; for 24h; autoclave;	A 45% B 55%

: 111957-98-3, 625-31-0
Pent-4-en-2-ol

A: 13891-87-7
pent-4-en-2-one

B: 625-33-2
3-penten-2-one

C: 34218-21-8, 34218-22-9, 5729-47-5
2-pentene-1,4-dione

Conditions

Conditions	Yield
With tetrapropylammonium perruthennate In dichloromethane at 20℃; for 8h; Molecular sieve;	A 74% B 10% C 16%

...Expand

: 1569-50-2
3-penten-2-ol

: 625-33-2
3-penten-2-one

Conditions

Conditions	Yield
With potassium phosphate; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; Cu2(phenanthroline)2(μ-Cl)2Cl2; oxygen In acetonitrile at 20℃; for 5h;	71%
With (1R,2R)-1,2-di(naphthalen-1-yl)ethane-1,2-diamine; tert.-butylhydroperoxide; potassium carbonate In water at 95℃; for 16h;	21%
With oxygen; aluminum oxide; ruthenium In various solvent(s) at 82.84℃; for 6h;

: 33177-29-6
5,6-dihydro-4-hydroxy-6-methyl-2H-pyran-2-one

: 625-33-2
3-penten-2-one

Conditions

Conditions	Yield
In water at 179.84℃; under 25858.1 Torr; Product distribution / selectivity; Inert atmosphere;	59.7%
With Amberlyst 70 In water at 99.84℃; under 15751.6 Torr; for 4h; Solvent; Time; Inert atmosphere; Flow reactor;

: 4161-60-8
4-hydroxypentan-2-one

A: 625-33-2
3-penten-2-one

B: 55577-75-8
4-(acetyloxy)-2-pentanone

Conditions

Conditions	Yield
With dmap; acetic anhydride; triethylamine Ambient temperature;	A 28% B 53%
With dmap; triethylamine for 2h; Ambient temperature;	A 28% B 53%

: 75-07-0
acetaldehyde

: 67-64-1
acetone

: 625-33-2
3-penten-2-one

Conditions

Conditions	Yield
With sodium hydroxide In diethyl ether at 0℃; for 5h;	9.6%
With sodium hydroxide; diethyl ether und Destillation des Reaktionsprodukts mit wasserfreier Oxalsaeure;
With caesium carbonate In methanol at 20℃; for 5.5h;
With sodium hydroxide In water at 40℃;
With sodium hydroxide In water at 25℃; for 6h;

: 1487-15-6
2-Methyl-4,5-dihydrofuran

A: 625-33-2
3-penten-2-one

B: 765-43-5
Cyclopropyl methyl ketone

Conditions

Conditions	Yield
at 525℃; Erhitzen;

: 13891-87-7
pent-4-en-2-one

: 625-33-2
3-penten-2-one

Conditions

Conditions	Yield
durch verschiedene Agenzien;
With sodium ethanolate
With piperidine
With mineral acid
With hydrogenchloride In gas

: 765-43-5
Cyclopropyl methyl ketone

: 625-33-2
3-penten-2-one

Conditions

Conditions	Yield
at 25 - 170℃; Quantum yield; Photolysis;

: 187737-37-7
propene

: 506-96-7
Acetyl bromide

: 625-33-2
3-penten-2-one

Conditions

Conditions	Yield
With aluminum tri-bromide; hexane
With carbon disulfide; aluminum tri-bromide

: 463-72-9
carbamic chloride

: 4161-60-8
4-hydroxypentan-2-one

: 625-33-2
3-penten-2-one

: 4161-60-8
4-hydroxypentan-2-one

: 625-33-2
3-penten-2-one

Conditions

Conditions	Yield
With iodine at 155℃;
With acetic anhydride; zinc(II) chloride at 150 - 160℃;
at 250℃;

: 113704-77-1
4-bromo-pentan-2-one

: 625-33-2
3-penten-2-one

Conditions

Conditions	Yield
With potassium hydrogencarbonate

: 4161-60-8
4-hydroxypentan-2-one

: 108-24-7
acetic anhydride

: 625-33-2
3-penten-2-one

: 463-51-4
Ketene

: 75-07-0
acetaldehyde

A: 108-05-4
vinyl acetate

B: 625-33-2
3-penten-2-one

Conditions

Conditions	Yield
With sulfuric acid

...Expand

: 463-51-4
Ketene

: 75-07-0
acetaldehyde

: 625-33-2
3-penten-2-one

Conditions

Conditions	Yield
at 25℃; ohne Katalysator;
at 25℃; analog verlaeuft die Einw. auf Propionaldehyd und Butyraldehyd;

: 67-64-1
acetone

: 123-63-7
paracetaldehyde

: 625-33-2
3-penten-2-one

Conditions

Conditions	Yield
durch Saettigen des Gemisches mit Chlorwasserstoff und Destillieren des Reaktionsproduktes mit Diaethylanilin;

: 17615-19-9
3,4-pentadien-2-ol

: 625-33-2
3-penten-2-one

Conditions

Conditions	Yield
With water; mercury(II) sulfate for 1.5h; Heating;

: 105-57-7
diethyl acetal

: 6651-39-4
trimethyl[(1-methylpropenyl)oxy]-silane

: 625-33-2
3-penten-2-one

Conditions

Conditions	Yield
With hydrogenchloride; zinc(II) chloride 1.) ethyl acetate, room temp., 18 h; 2.) 80 deg C, 2 h; Yield given. Multistep reaction;

: 105-57-7
diethyl acetal

: 6651-39-4
trimethyl[(1-methylpropenyl)oxy]-silane

A: 625-33-2
3-penten-2-one

B: 33330-50-6
4-ethoxypentan-2-one

Conditions

Conditions	Yield
zinc(II) chloride In ethyl acetate Ambient temperature; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

...Expand

: 623-43-8, 4358-59-2, 18707-60-3, 130981-57-6
methyl crotonate

: 107-31-3
Methyl formate

: 16812-43-4
bis(trimethylstannyl)methane

A: 625-33-2
3-penten-2-one

B: (1Z,4E)-1-Hydroxy-hexa-1,4-dien-3-one

Conditions

Conditions	Yield
Yield given. Multistep reaction;

...Expand

: 1071-73-4
5-Hydroxy-2-pentanone

A: 1487-15-6
2-Methyl-4,5-dihydrofuran

B: 625-33-2
3-penten-2-one

C: 765-43-5
Cyclopropyl methyl ketone

D: 75-07-0
acetaldehyde

E: 107-87-9
2-Pentanone

F: 67-64-1
acetone

Conditions

Conditions	Yield
at 500℃; for 0.005h; Product distribution; other temperatures from 430 to 530 deg C, other reaction time, degree of conversion;

...Expand

: 5185-97-7
4-oxopentyl acetate

A: 13891-87-7
pent-4-en-2-one

B: 625-33-2
3-penten-2-one

C: 64-19-7
acetic acid

Conditions

Conditions	Yield
at 380.4℃; Kinetics; Product distribution; Mechanism; other temperatures, various pressures, effect of propene inhibitors; Ea. log A;

...Expand

: 78080-39-4
4-(butylthio)pent-3-en-2-one

: 625-33-2
3-penten-2-one

Conditions

Conditions	Yield
With lithium aluminium tetrahydride In diethyl ether 1.) room temperature, 2 h, 2.) 30 min, reflux;	27.5 % Chromat.
With lithium aluminium tetrahydride In diethyl ether Product distribution; other reagent, solvent;	27.5 % Chromat.

: 75-07-0
acetaldehyde

: 67-64-1
acetone

A: 141-79-7
4-methyl-pent-3-en-2-one

B: 625-33-2
3-penten-2-one

Conditions

Conditions	Yield
With potassium hydroxide Yields of byproduct given;

...Expand

: 78080-40-7
(E)-4-phenylthiopent-3-en-2-one

A: 625-33-2
3-penten-2-one

B: 108-98-5
thiophenol

Conditions

Conditions	Yield
With lithium aluminium tetrahydride In diethyl ether 1.) room temperature, 2 h, 2.) 30 min, reflux;	A 62.5 % Chromat. B 6.5 % Chromat.
With lithium aluminium tetrahydride In diethyl ether Product distribution; other reagent, solvent;	A 62.5 % Chromat. B 6.5 % Chromat.

: 74-85-1
ethene

: 67-64-1
acetone

A: 13891-87-7
pent-4-en-2-one

B: 625-33-2
3-penten-2-one

C: 21889-88-3
hept-6-en-2-one

D: 5185-97-7
4-oxopentyl acetate

E: 107-87-9
2-Pentanone

Conditions

Conditions	Yield
With copper diacetate; manganese triacetate In acetic acid at 85℃; under 38000 Torr; for 4h; Product distribution; Mechanism; other solvents, var. conc. of reagents, var. pressure, var. reagent (MnO2);	A 30 % Turnov. B 18 % Turnov. C 28 % Turnov. D 14 % Turnov. E 10 % Turnov.

...Expand

: 67-64-1
acetone

A: 141-79-7
4-methyl-pent-3-en-2-one

B: 625-33-2
3-penten-2-one

Conditions

Conditions	Yield
With potassium hydroxide; acetaldehyde Yield given;

: 1569-50-2
3-penten-2-ol

A: 625-33-2
3-penten-2-one

: 22520-29-2, 26091-69-0, 34501-27-4, 74164-00-4, 79702-78-6, 79702-79-7, 80183-20-6, 81871-92-3, 117557-30-9, 131432-12-7, 140696-25-9, 143061-82-9, 144539-36-6
syn-3,4-epoxy-2-pentanol

: 22520-29-2, 26091-69-0, 34501-27-4, 74164-00-4, 79702-78-6, 79702-79-7, 80183-20-6, 81871-92-3, 117557-30-9, 131432-12-7, 140696-25-9, 143061-82-9, 144539-36-6
3,4-Epoxypentan-2-ol

Conditions

Conditions	Yield
With 3,3-dimethyldioxirane In acetone at 0 - 20℃; Product distribution; other solvent;

...Expand

cellulose: cellulose

A: 625-86-5
2,5-dimethylfuran

B: 620-02-0
5-Methylfurfural

C: 625-33-2
3-penten-2-one

D: 108-95-2
phenol

Conditions

Conditions	Yield
With air at 400 - 550℃; Oxidation; Formation of xenobiotics;

...Expand

: 625-33-2
3-penten-2-one

: 107-87-9
2-Pentanone

Conditions

Conditions	Yield
With limonene.; palladium on activated charcoal for 0.25h; Heating;	100%
With potassium bis(trimethylsilyl)amide In tetrahydrofuran at 0℃; for 6h;	94.2%
With hydrogen; 1,5-hexadienerhodium(I)-chloride dimer In hexane for 3h; Ambient temperature; pH=7.6;	71%

: 61550-02-5
(furan-2-yloxy)-trimethylsilane

: 625-33-2
3-penten-2-one

: C9H12O3

Conditions

Conditions	Yield
With [Cu((S,S)-(C6H5CHCH2OCN)2C(CH3)2)](CF3SO3)2; 1,1,1,3',3',3'-hexafluoro-propanol In toluene at 20℃; for 5h;	100%

: 696-63-9
4-Methoxybenzenethiol

: 625-33-2
3-penten-2-one

: 1233849-11-0
4-(4-methoxyphenylthio) pentan-2-one

Conditions

Conditions	Yield
With 1-methyl-imidazolium p-toluenesulfonic acid at 20℃; for 4h; Michael addition; neat (no solvent);	99%
With [Ni(2,6-bis[[(S)-2-(methyloxycarbonyl)-1-pyrrolidinyl]methyl]-pyridine)(CH3CN)](ClO4)2*H2O In acetonitrile at 20℃; for 2h; Michael Addition; Inert atmosphere; Schlenk technique;	96%
With C39H47N7Ni2O5(3+)*3ClO4(1-) In acetonitrile at 20℃; for 2h; thia-Michael addition;	41%

: 625-33-2
3-penten-2-one

: 75-52-5
nitromethane

: (R)-4-methyl-5-nitropentan-2-one

Conditions

Conditions	Yield
With 9-epi-9-amino-9-deoxyquinine; N,N,N',N'-tetramethyl-1,8-diaminonaphthalene; benzoic acid at 40℃; for 144h; Michael Addition; enantioselective reaction;	99%
With (S)-N1-cyclohexyl-3,3-dimethylbutane-1,2-diamine; benzoic acid In dichloromethane at 30℃; for 48h; Michael Addition; enantioselective reaction;	80%

: 625-33-2
3-penten-2-one

: 98-80-6
phenylboronic acid

: 32587-80-7
(S)-4-phenylpentan-2-one

Conditions

Conditions	Yield
With chlorobis(ethylene)rhodium(I) dimer; [(η5-1-bis(3,5-dimethylphenyl)phosphino-2-(3-diphenylphosphino-2-methylpropenyl)cyclopentadienyl-P)]manganese(I) dicarbonyl; potassium hydroxide In 1,4-dioxane; water at 50℃; for 9h; Inert atmosphere; enantioselective reaction;	99%
With chlorobis(ethylene)rhodium(I) dimer; C41H24F12O2P2; potassium hydroxide In water; toluene at 20℃; for 4h; Inert atmosphere; Schlenk technique; enantioselective reaction;	95%
With chlorobis(ethylene)rhodium(I) dimer; C41H24F12O2P2; potassium hydroxide In water; toluene at 20℃; for 0.5h; Inert atmosphere; Schlenk technique;	95%
With C17H27NO In water; toluene at 100℃; for 12h; Inert atmosphere;	91%
With heterogeneous Rh/Ag bimetallic nanoparticle catalyst immobilized on chiral polymer In water; toluene at 100℃; for 24h; Inert atmosphere; enantioselective reaction;	90%

: 625-33-2
3-penten-2-one

: 5720-05-8
4-methylphenylboronic acid

: 69657-27-8
(S)-4-(4-methylphenyl)-2-pentanone

Conditions

Conditions	Yield
With chlorobis(ethylene)rhodium(I) dimer; C41H24F12O2P2; potassium hydroxide In water; toluene at 20℃; for 4h; Inert atmosphere; Schlenk technique; enantioselective reaction;	99%

: 625-33-2
3-penten-2-one

: 4071-85-6
trimetylsilylketene

: 3780-59-4
3-methyl-hexa-2,4-dienoic acid

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate In diethyl ether Ambient temperature;	98%

: 625-33-2
3-penten-2-one

: 51-79-6
urethane

: 1353002-67-1
ethyl 4-oxopentan-2-ylcarbamate

Conditions

Conditions	Yield
With 1-methyl-imidazolium p-toluenesulfonic acid at 20℃; for 16h; Michael addition; neat (no solvent);	98%

: 625-33-2
3-penten-2-one

: 145865-96-9
4,9-dihydro-9-(p-toluenesulfonyl)-3H-pyrido-<3,4-b>indole

: 1421697-76-8
(4R,12bS)-4-methyl-12-tosyl-1,3,4,6,7,12b-hexahydroindolo[2,3-a]quinolizin-2(12H)-one

Conditions

Conditions	Yield
With (S)-2-(3-((1R,2R)-2-aminocyclohexyl)thioureido)-N-benzhydryl-N,3,3-trimethylbutanamide; acetic acid In toluene at 4℃; for 48h; Diels-Alder Cycloaddition; Inert atmosphere; enantioselective reaction;	97%

: 625-33-2
3-penten-2-one

: 100-53-8
phenylmethanethiol

: C12H16OS

Conditions

Conditions	Yield
With C38H54ClFeN2O2 In 1,2-dichloro-ethane at -5℃; for 32h; enantioselective reaction;	97%

: 625-33-2
3-penten-2-one

: 64420-86-6
O-p-toluenesulfonyl benzyloxyhydroxamate

: 1096017-08-1
2-acetyl-3-methylaziridine-1-carboxylic acid benzyl ester

Conditions

Conditions	Yield
Stage #1: 3-penten-2-one With 1.5C13H17NO4*C20H27N3O In chloroform at 23℃; for 0.166667h; Stage #2: O-p-toluenesulfonyl benzyloxyhydroxamate With sodium hydrogencarbonate In chloroform at 23℃; for 16h; optical yield given as %ee; enantioselective reaction;	96%

: 625-33-2
3-penten-2-one

: 599-67-7
1,1-diphenylethanol

: 95071-06-0
4-methyl-6,6-diphenylhex-5-en-2-one

Conditions

Conditions	Yield
With 4-n-butyl-4-(3-sulfopropyl)thiomorpholinium 1,1-dioxide trifluoromethane sulfonate at 70℃; for 0.5h; Michael Addition; Green chemistry;	96%

: 1504-06-9
3-methylindolin-2-one

: 625-33-2
3-penten-2-one

A: C14H17NO2

B: (R)-3-methyl-3-((S)-4-oxopentan-2-yl)indolin-2-one

Conditions

Conditions	Yield
With Boc-D-Phg-OH; (R,R)-1,2-diphenylethylenediamine In toluene at 20℃; for 24h; Michael Addition; stereoselective reaction;	A n/a B 96%

...Expand

: 625-33-2
3-penten-2-one

A: 78-93-3
butanone

B: 78-92-2, 15892-23-6
iso-butanol

Conditions

Conditions	Yield
With hydrogen; In diethylene glycol dimethyl ether; water at 30℃; under 735.5 Torr; for 5h; Kinetics; reaction profiles reactions of hydrogenation of some unsatureted ketones;	A 95.3% B 4.7%

: 109-72-8, 29786-93-4
n-butyllithium

: 625-33-2
3-penten-2-one

: 119072-55-8, 7188-38-7
tert-butylisonitrile

: 92803-27-5
4-methyl-5-(N-tert-butylimino)-2-nonanone

Conditions

Conditions	Yield
With copper(l) iodide; boron trifluoride diethyl etherate In diethyl ether at -78 - 0℃; for 0.5h; Product distribution; reactions of Cu(I) aldimines with α,β-unsaturated carbonyl compounds;	95%
With copper(l) iodide; boron trifluoride diethyl etherate; sodium carbonate In diethyl ether -78 degC, 30 min, than 0 degC;	95%

...Expand

: 120-72-9
indole

: 625-33-2
3-penten-2-one

: 59715-09-2
4-(1H-indol-3-yl)pentan-2-one

Conditions

Conditions	Yield
With aluminium(III) triflate at 80℃; for 0.133333h; Time; Wavelength; Microwave irradiation; regioselective reaction;	95%
With N-[(perfluorobutyl)sulfonyl]-3-{N-[(perfluorobutyl)sulfonyl]sulfamoyl}benzamide In water at 30℃; for 3h; Temperature; Michael Addition;	91%
With ionic liquid immobilized on silica-SO2Cl In diethyl ether at 20℃; for 5h;	90%

: 625-33-2
3-penten-2-one

: 98-80-6
phenylboronic acid

: 67110-72-9
(4R)-4-phenylpentan-2-one

Conditions

Conditions	Yield
With BF4(1-)*C68H44N2O4P2Rh(1+); water; potassium hydroxide In 1,4-dioxane at 60℃; for 1h; Anaerobic conditions; Combinatorial reaction / High throughput screening (HTS); optical yield given as %ee; enantioselective reaction;	95%
With chlorobis(ethylene)rhodium(I) dimer; (RS)-N-(cinnamyl)-2-methylpropane-2-sulfinamide; potassium hydroxide In methanol; water at 40℃; Inert atmosphere; optical yield given as %ee; enantioselective reaction;	78%
With chlorobis(ethylene)rhodium(I) dimer; [η5-1-bis(3,5-di(trifluormethylphenyl)phosphino-2-(3-diphenylphosphino-2-methylpropenyl)cyclopentadienyl-P)]manganese(I) dicarbonyl; potassium hydroxide In 1,4-dioxane; water at 50℃; for 9h; Reagent/catalyst; Inert atmosphere; enantioselective reaction;	60%

: 625-33-2
3-penten-2-one

: 18039-42-4
5-phenyl-2H-1,2,3,4-tetrazole

: 1353002-70-6
4-(5-phenyl-2H-tetrazol-2-yl) pentan-2-one

Conditions

Conditions	Yield
With 1-methyl-imidazolium p-toluenesulfonic acid In dichloromethane at 20℃; for 1h; Michael addition;	95%

: 625-33-2
3-penten-2-one

: 20361-10-8
2,3-dihydro-3-oxo-1H-isoindole-1-carboxylic acid ethyl ester

: ethyl 3-oxo-1-(4-oxopentan-2-yl)isoindoline-1-carboxylate

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile at 20℃; for 8h; Michael Addition;	95%

: 625-33-2
3-penten-2-one

: 6258-66-8
(4-chlorophenyl)methanethiol

: (S)-4-(4-chlorobenzylthio)pentan-2-one

Conditions

Conditions	Yield
With C38H54ClFeN2O2 In 1,2-dichloro-ethane at -5℃; for 31h; enantioselective reaction;	95%
Stage #1: 3-penten-2-one With nanoparticles of Iron(II)-folded copolymer from N-isopropylacrylamide and 4-benzyl-2-vinyloxazoline In water for 0.0833333h; Michael Addition; Stage #2: (4-chlorophenyl)methanethiol In water at 25℃; for 48h; Michael Addition; enantioselective reaction;	94%

: 625-33-2
3-penten-2-one

: 104-94-9
4-methoxy-aniline

: 113407-86-6
2,4-dimethyl-6-methoxyquinoline

Conditions

Conditions	Yield
With phosphomolybdic acid; sodium dodecyl-sulfate In water; toluene at 80℃; for 0.833333h;	94%

: 95-20-5
2-methyl-1H-indole

: 625-33-2
3-penten-2-one

: 1-methyl-3-(1H-2-methyl-indol-3-yl)-butan-1-one

Conditions

Conditions	Yield
With sodium ligninsulfonate-immobilized Sc(OTf)3 In ethanol Michael Addition;	94%

: 625-33-2
3-penten-2-one

: 2-benzyl-4,5-dihydro-4H-1,3-dithiolanylium tetrafluoroborat

: 5-(1,3-dithiolan-2-ylidene)-4-methyl-5-phenylpentan-2-one

Conditions

Conditions	Yield
In acetonitrile at 20℃; for 1h; Reagent/catalyst; Michael Addition;	94%

: 873-73-4
4-n-chlorophenylacetylene

: 625-33-2
3-penten-2-one

: 58458-85-8
trimethoxy(phenylethynyl)silane

: (Z)-6-(4-chlorophenyl)-4-methyl-8-phenyloct-5-en-7-yn-2-one

Conditions

Conditions	Yield
With nickel(II) iodide; methanol; zinc In N,N-dimethyl-formamide at 20℃; for 18h; Schlenk technique; Sealed tube; Inert atmosphere; stereoselective reaction;	94%

...Expand

: 625-33-2
3-penten-2-one

: 39748-15-7, 33115-74-1
methyl 2-isocyanopropanoate

: 125294-54-4, 125294-55-5
2-Isocyano-2,3-dimethyl-5-oxo-hexanoic acid methyl ester

Conditions

Conditions	Yield
tetrabutyl ammonium fluoride In tetrahydrofuran for 3h; Ambient temperature;	93%

: 10075-50-0
5-bromo-1H-indole

: 625-33-2
3-penten-2-one

: 1018636-36-6
4-(5-bromo-1H-indol-3-yl)pentan-2-one

Conditions

Conditions	Yield
With N-[(perfluorobutyl)sulfonyl]-3-{N-[(perfluorobutyl)sulfonyl]sulfamoyl}benzamide In water at 30℃; for 5h; Michael Addition;	93%
With zirconium(IV) chloride In dichloromethane at 20℃;	72%

: 625-33-2
3-penten-2-one

: 41795-35-1
(5-hexen-1-ylsulfonyl)-benzene

: 1235835-70-7
8-(phenylsulfonyl)-3-octen-2-one

Conditions

Conditions	Yield
With tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride In dichloromethane at 20℃; for 13h;	93%
With tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride In dichloromethane at 20℃; for 13h;	93%

: 625-33-2
3-penten-2-one

: 1569-50-2
3-penten-2-ol

Conditions

Conditions	Yield
With cadmium tetrahydroborate In acetonitrile for 24h; Mechanism; Ambient temperature;	92%
With cadmium tetrahydroborate In acetonitrile for 24h; Ambient temperature;	92%
With sodium tetrahydroborate In tetrahydrofuran; methanol at 0℃; for 0.333333h;	70%

: 95-14-7
1,2,3-Benzotriazole

: 625-33-2
3-penten-2-one

: 1340332-19-5
4-(1H-benzo[d][1,2,3]triazol-1-yl)pentan-2-one

Conditions

Conditions	Yield
With 1-methyl-imidazolium p-toluenesulfonic acid In dichloromethane at 20℃; for 3h; Michael addition;	92%

: 1008-89-5
2-phenylpyridine

: 625-33-2
3-penten-2-one

: 4-(2-(pyridin-2-yl)phenyl)pentan-2-one

Conditions

Conditions	Yield
With silver hexafluoroantimonate; dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; acetic acid at 25℃; for 30h; Inert atmosphere; Darkness;	92%

3-Penten-2-one Chemical Properties

Molecular Structure of 3-Penten-2-one (625-33-2):

EINECS: 210-888-3
IUPAC Name: (E)-Pent-3-en-2-one
Molecular Formula: C₅H₈O
Molecular Weight: 84.116420 g/mol
XLogP3: 0.5
H-Bond Donor: 0
H-Bond Acceptor: 1
Canonical SMILES: CC=CC(=O)C
Isomeric SMILES: C/C=C/C(=O)C
InChI: InChI=1S/C5H8O/c1-3-4-5(2)6/h3-4H,1-2H3/b4-3+
InChIKey: LABTWGUMFABVFG-ONEGZZNKSA-N
Index of Refraction: 1.411
Molar Refractivity: 25.3 cm³
Molar Volume: 101.8 cm³
Surface Tension: 23.1 dyne/cm
Density: 0.826 g/cm³
Flash Point: 19.8 °C
Enthalpy of Vaporization: 36 kJ/mol
Boiling Point: 122 °C at 760 mmHg
Vapour Pressure: 14.2 mmHg at 25 °C
Water Solubility: 4.618e+004 mg/L at 25 °C
Refractive Index: n20/D 1.437(lit.)
Storage Temp.: 2-8 °C
BRN: 1633505

3-Penten-2-one Toxicity Data With Reference

1.	skn-rbt 10 mg/24H	JIHTAB Journal of Industrial Hygiene and Toxicology. 30 (1948),63.
2.	eye-rbt 500 mg	JIHTAB Journal of Industrial Hygiene and Toxicology. 30 (1948),63.
3.	orl-rat LD50:3200 mg/kg	JIDHAN Journal of Industrial Hygiene. 30 (1948),63.
4.	ihl-rat LCLo:250 ppm/4H	JIHTAB Journal of Industrial Hygiene and Toxicology. 31 (1949),343.
5.	skn-rbt LD50:500 mg/kg	JIHTAB Journal of Industrial Hygiene and Toxicology. 30 (1948),63.

3-Penten-2-one Consensus Reports

Community Right-To-Know List. Reported in EPA TSCA Inventory.

3-Penten-2-one Safety Profile

Safety Information of 3-Penten-2-one (625-33-2):
Hazard Codes: F ,Xn
Risk Statements: 11-21-36/37/38
11: Highly Flammable
21: Harmful in contact with skin
36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 16-26-33-36/37/39
16: Keep away from sources of ignition - No smoking
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
33: Take precautionary measures against static discharges
36/37/39: Wear suitable protective clothing, gloves and eye/face protection
RIDADR: UN 1992 3/PG 2
WGK Germany: 3
RTECS: SB3850000
F: 10-19
HazardClass: 3
PackingGroup: II
Moderately toxic by ingestion, inhalation, and skin contact. A skin and eye irritant. Flammable when exposed to heat or flame; can react with oxidizing materials. To fight fire, use foam, CO₂, dry chemical. When heated to decomposition it emits acrid smoke and irritating fumes. See also KETONES.

3-Penten-2-one Standards and Recommendations

DOT Classification: 3; Label: Flammable Liquid

3-Penten-2-one Specification

3-Penten-2-one (625-33-2) is colourless liquid with a pungent odour. It is also called for 2-Oxo-3-pentene ; 3-01-00-02985 (Beilstein Handbook Reference) ; AI3-37794 ; Ethylidene acetone ; FEMA No. 3417 ; Methyl 1-propenyl ketone ; Methyl propenyl ketone ; NSC 61468 .

Product Name

3-Penten-2-one

Synthetic route

3-Penten-2-one Chemical Properties

3-Penten-2-one Toxicity Data With Reference

3-Penten-2-one Consensus Reports

3-Penten-2-one Safety Profile

3-Penten-2-one Standards and Recommendations

3-Penten-2-one Specification

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