5-Hexen-2-one supplier | CasNO.109-49-9

Name
Allylacetone
EINECS 203-675-1
CAS No. 109-49-9
Article Data110
CAS DataBase
Density 0.819 g/cm³
Solubility soluble in water
Melting Point -71.05°C (estimate)
Formula C₆H₁₀O
Boiling Point 129.5 °C at 760 mmHg
Molecular Weight 98.1448
Flash Point 23.9 °C
Transport Information UN 1224
Appearance Clear colorless liquid, typical ketone odor
Safety 23-24/25
Risk Codes 10
Molecular Structure
Hazard Symbols R10:Flammable.;
Synonyms 1-Hexen-5-one;3-Butenyl methyl ketone;5-Hexen-1-one;5-Oxo-1-hexene;Allylacetone;NSC 6973;
PSA 17.07000
LogP 1.54160

Synthetic route

: 59239-06-4
hex-5-en-2-one oxime

: 109-49-9
1-hexen-5-one

Conditions

Conditions	Yield
Stage #1: hex-5-en-2-one oxime With 2,2'-dipyridyldiselenide; trimethylphosphane In tetrahydrofuran; toluene at 20℃; for 0.0333333h; Stage #2: With water In tetrahydrofuran at 20℃; for 0.5h; Further stages.;	97%
With tert.-butylhydroperoxide; dipyridinium dichromate In dichloromethane at 0℃; for 4h;	95%

: 610-89-9
2-acetyl-pent-4-enoic acid ethyl ester

: 109-49-9
1-hexen-5-one

Conditions

Conditions	Yield
With sodium hydroxide In water for 2h; Reflux;	80%

: 75-09-2
dichloromethane

: 58170-51-7
1-(4-morpholinyl)-4-penten-1-one

: 109-49-9
1-hexen-5-one

Conditions

Conditions	Yield
Stage #1: dichloromethane; 1-(4-morpholinyl)-4-penten-1-one With titanium tetrachloride; magnesium In tetrahydrofuran at 0℃; for 1.05h; Inert atmosphere; Stage #2: With water; potassium carbonate Inert atmosphere; chemoselective reaction;	80%

: 20449-21-2
2-(but-3-en-1-yl)-2-methyl-1,3-dioxolane

: 109-49-9
1-hexen-5-one

Conditions

Conditions	Yield
With CuCl2*2H2O In acetonitrile for 0.5h; Ambient temperature;	74%

: 57711-32-7
2-<(trimethylsilyl)oxy>-1,5-hexadiene

A: 109-49-9
1-hexen-5-one

B: 73193-08-5
1-chloro-5-hexen-2-one

Conditions

Conditions	Yield
With copper dichloride In N,N-dimethyl-formamide 1) r.t., 3 h, 2) 50 deg C, 30 min;	A 20% B 68%
With copper dichloride In N,N-dimethyl-formamide 1) r.t., 3 h, 2) 50 deg C, 30 min; further reagent: FeCl3 in MeCN;	A 20% B 68%

: 133367-87-0
2-bromo-2-nitrohex-5-ene

A: 109-49-9
1-hexen-5-one

B: 17397-24-9, 17397-29-4, 54774-27-5, 626-94-8
hex-5-en-2-ol

C: 30168-50-4
1-methyl-1-nitrocyclopentane

D: 64999-95-7
2-nitrohex-5-ene

Conditions

Conditions	Yield
2,2'-azobis(isobutyronitrile) In benzene at 40℃; Product distribution; Mechanism; Irradiation; different concentrations of Bu3SnH, without irradiation, absence of azobis(isobutyronitrile), presence of p-dinitrobenzene, presence of oxygen;	A n/a B n/a C n/a D 64%

...Expand

: 87109-17-9
1-diphenylphosphinoyl-4-(2-methyl-[1,3]dioxolan-2-yl)-propane

A: 20449-21-2
2-(but-3-en-1-yl)-2-methyl-1,3-dioxolane

B: 109-49-9
1-hexen-5-one

Conditions

Conditions	Yield
With sodium hydride In N,N-dimethyl-formamide at 50℃; for 1h;	A 63% B 18%

: 107-05-1
3-chloroprop-1-ene

: 109-49-9
1-hexen-5-one

Conditions

Conditions	Yield
	63%

: 17397-24-9, 17397-29-4, 54774-27-5, 626-94-8
hex-5-en-2-ol

: 109-49-9
1-hexen-5-one

Conditions

Conditions	Yield
With [RuCl2(PPh3)2(2-PyCH21,3,5-triaza-7-phosphadamantane)].Br; potassium hydroxide In water for 48h; Schlenk technique; Reflux; Inert atmosphere;	56%
With chromic acid
With aluminum oxide; barium manganate; copper(II) sulfate In benzene for 10h; Ambient temperature;	78 % Chromat.
Multi-step reaction with 4 steps 1: 87 percent / pyridine / 1 h / Ambient temperature 2: 55 percent / lithium bromide / tetrahydrofuran / 6 h / Heating 3: 25 percent / sodium nitrite, urea / dimethylformamide / 48 h / Ambient temperature 4: 1.) NaOMe, 2.) potassium hexacyanoferrate(III) / 1.) methanol, 30 min, 2.) CH2Cl2, water, 10 min View Scheme

: 10353-53-4
1,2-epoxy-5-hexene

A: 109-49-9
1-hexen-5-one

B: 21816-24-0
3-methylenecyclopentan-1-ol

Conditions

Conditions	Yield
With Co(dimethylglyoximate)2(py)iPr; potassium tert-butylate In methanol at 34℃; for 24h; Inert atmosphere; Irradiation; regioselective reaction;	A 8 %Spectr. B 53%

: 7623-25-8
2-methyl-3-oxa-1,5-hexadiene

: 109-49-9
1-hexen-5-one

Conditions

Conditions	Yield
In benzene-d6 at 80 - 125.2℃; Rate constant; Thermodynamic data; activation (enthalpy and entropy);	45%
at 255℃;
With Chromosorb P Heating;

: 114288-96-9
(Z)-3-Trimethylsilanyloxy-but-2-enoic acid allyl ester

A: 109-49-9
1-hexen-5-one

B: 76003-04-8
α,α,α-triallyacetone

C: 75265-80-4
3-allyl-hex-5-en-2-one

D: 102840-44-8
3-allyl-2-octanone

Conditions

Conditions	Yield
With tris(dibenzylideneacetone)dipalladium(0) chloroform complex; 1,2-bis-(diphenylphosphino)ethane In tetrahydrofuran at 25 - 30℃; for 2h;	A 21% B 27% C 45% D 4%

...Expand

: 1118-84-9
allyl acetoacetate

A: 109-49-9
1-hexen-5-one

B: 75265-80-4
3-allyl-hex-5-en-2-one

Conditions

Conditions	Yield
tetrakis(triphenylphosphine) palladium(0) In N,N-dimethyl-formamide for 2h; Ambient temperature;	A 37% B 16 % Chromat.
tetrakis(triphenylphosphine) palladium(0) In N,N-dimethyl-formamide for 2h; Ambient temperature;	A 37 % Chromat. B 16%
With palladium diacetate; triphenylphosphine In tetrahydrofuran for 0.5h; Heating; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

: 542-05-2
acetonedicarboxylic acid

: 591-87-7
Allyl acetate

A: 109-49-9
1-hexen-5-one

B: 75265-80-4
3-allyl-hex-5-en-2-one

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0) In tetrahydrofuran for 0.5h; Ambient temperature;	A 31% B 45 % Chromat.
With tetrakis(triphenylphosphine) palladium(0) In tetrahydrofuran for 3h; Ambient temperature;	A 64 % Chromat. B 5%

...Expand

: 591-87-7
Allyl acetate

: 3483-11-2
lithium acetoacetate

A: 109-49-9
1-hexen-5-one

B: 75265-80-4
3-allyl-hex-5-en-2-one

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0) In benzene for 3h; Ambient temperature;	A 14% B 64 % Chromat.

...Expand

: 17397-24-9, 17397-29-4, 54774-27-5, 626-94-8
hex-5-en-2-ol

A: 109-49-9
1-hexen-5-one

B: 626-94-8
(S)-5-hexen-2-ol

C: 17397-29-4
(2R)-hex-5-en-2-ol

Conditions

Conditions	Yield
With D-glucose; Yarrowia lipolytica YL2; peptone In N,N-dimethyl-formamide at 28℃; for 96h; Oxidation; Microbiological reaction; Title compound not separated from byproducts;	A 6% B n/a C n/a

...Expand

: 101-84-8
diphenylether

: 1118-84-9
allyl acetoacetate

: 109-49-9
1-hexen-5-one

Conditions

Conditions	Yield
at 185 - 200℃;

: 35219-73-9
2,2-bis-allyloxy-propane

A: 109-49-9
1-hexen-5-one

B: 7623-25-8
2-methyl-3-oxa-1,5-hexadiene

Conditions

Conditions	Yield
With toluene-4-sulfonic acid

: 10226-29-6
6-Bromo-2-hexanone

: 109-49-9
1-hexen-5-one

Conditions

Conditions	Yield
With alkali

: 87384-19-8
2-ethoxy-2-allyloxy-propane

A: 109-49-9
1-hexen-5-one

B: 7623-25-8
2-methyl-3-oxa-1,5-hexadiene

Conditions

Conditions	Yield
With toluene-4-sulfonic acid

: 861334-28-3
methyl-butyl-γ-butenyl-carbinol

: 109-49-9
1-hexen-5-one

Conditions

Conditions	Yield
at 600℃;
at 600℃; beim Ueberleiten ueber Glaswolle;

: 1118-84-9
allyl acetoacetate

: 109-49-9
1-hexen-5-one

Conditions

Conditions	Yield
With diphenylether
tetrakis(polyethylenediphenylphosphine)palladium(0) In toluene at 100℃; for 0.0833333h;	100 % Chromat.
4Pd In toluene at 100℃; for 0.0833333h; Product distribution; other allylic esters of β-keto and β-cyano carboxylic acids;	100 % Chromat.

: 35219-73-9
2,2-bis-allyloxy-propane

: 104-15-4
toluene-4-sulfonic acid

A: 109-49-9
1-hexen-5-one

B: 7623-25-8
2-methyl-3-oxa-1,5-hexadiene

Conditions

Conditions	Yield
bei langsamer Destillation;

...Expand

: 75-01-4
chloroethylene

: 141-78-6
ethyl acetate

A: 109-49-9
1-hexen-5-one

B: 918-86-5
3-Methyl-1,4-pentadien-3-ol

Conditions

Conditions	Yield
(i) Mg, THF, (ii) /BRN= 506104/, Et2O; Multistep reaction;

...Expand

: 106-95-6
allyl bromide

: 67-64-1
acetone

: 109-49-9
1-hexen-5-one

Conditions

Conditions	Yield
(i) nBu3SnOMe, Et2O, (ii) /BRN= 605308/; Multistep reaction;

: 592-42-7
1,5-Hexadien

: 109-49-9
1-hexen-5-one

Conditions

Conditions	Yield
With hydrogenchloride; p-nitrobenzenesulfonyl azide; hydroquinone 1.) benzene, 90 deg C, 7 d, protection from light; 2.) aq. ethanol, r. t., 24 h; Yield given. Multistep reaction;

: 557-40-4
Allyl ether

: 6407-36-9
N-isopropyliden-cyclohexyl amine

A: 109-49-9
1-hexen-5-one

B: 74912-33-7
nona-1,8-dien-5-one

Conditions

Conditions	Yield
With ethylmagnesium bromide Multistep reaction;

...Expand

: 592-88-1
diallyl sulphide

: 6407-36-9
N-isopropyliden-cyclohexyl amine

A: 109-49-9
1-hexen-5-one

B: 74912-33-7
nona-1,8-dien-5-one

Conditions

Conditions	Yield
With ethylmagnesium bromide Multistep reaction;

...Expand

: 591-87-7
Allyl acetate

: 6407-36-9
N-isopropyliden-cyclohexyl amine

A: 109-49-9
1-hexen-5-one

B: 74912-33-7
nona-1,8-dien-5-one

Conditions

Conditions	Yield
With ethylmagnesium bromide Multistep reaction;

...Expand

: 109-49-9
1-hexen-5-one

: 17397-24-9, 17397-29-4, 54774-27-5, 626-94-8
hex-5-en-2-ol

Conditions

Conditions	Yield
With potassium tert-butylate; hydrogen; RuHCl(PPh2CH2CH2NH2)2 at 20℃; under 2280 Torr; for 12h;	100%
With hydrogen; Ru((R,R)-cyP2N2)HCl In benzene-d6 at 20℃; under 2280.15 Torr; for 12h; Product distribution / selectivity; Alkaline conditions; Cooling with liquid nitrogen;	100%
With hydrogen; Ru((R,R)-cyP2(NH)2)HCl In benzene-d6 at 20℃; under 2280.15 Torr; for 12h; Product distribution / selectivity; Alkaline conditions; Cooling with liquid nitrogen;	100%

: 109-49-9
1-hexen-5-one

: 4426-72-6, 51433-48-8
hydrazine carboxamide

: 339207-38-4
N-(hex-5-en-2-ylidene)semicarbazide

Conditions

Conditions	Yield
With hydrogenchloride In methanol Reflux;	100%

: 109-49-9
1-hexen-5-one

: 107-21-1
ethylene glycol

: 20449-21-2
2-(but-3-en-1-yl)-2-methyl-1,3-dioxolane

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In toluene at 110℃; for 2h; Dean-Stark; Schlenk technique; Inert atmosphere;	99%
With camphor-10-sulfonic acid; orthoformic acid triethyl ester In dichloromethane at 20℃; for 24h;	96%
	95%

: 109-49-9
1-hexen-5-one

: (E)-N-(2,6-dimethylphenyl)-2-phenyl-3H-3-iminoindole

: (S,E)-1-(3-((2,6-dimethylphenyl)imino)-2-phenylindolin-2-yl)hex-5-en-2-one

Conditions

Conditions	Yield
With L-proline In dimethyl sulfoxide at 20℃; for 168h; Mannich Aminomethylation; enantioselective reaction;	99%

: 109-49-9
1-hexen-5-one

: 39085-59-1
trisylhydrazine

: 64028-02-0
hex-1-en-5-one 2,4,6-tri-isopropylbenzenesulphonyl hydrazone

Conditions

Conditions	Yield
In tetrahydrofuran for 2h; Ambient temperature;	98%

: 109-49-9
1-hexen-5-one

: 591-78-6
n-hexan-2-one

Conditions

Conditions	Yield
With [Ir(1-(1′-methylpyrazole)-3-(4′-methylphenyl)triazenide)Cp*Cl]; isopropyl alcohol at 90℃; for 1.33h; Catalytic behavior; Reagent/catalyst; Temperature; Time; Inert atmosphere; Glovebox;	98%
With NaH-alkoxide-Ni salt reagent; water In tetrahydrofuran at 25℃; for 0.133333h;	90.5%
With hydrogen; [(C6Me6)2Ru2(PPh2)H2][BF4] In ethanol at 60℃; under 37503 Torr; for 24h;	85%

: 109-49-9
1-hexen-5-one

: 513-81-5
2,3-dimethyl-buta-1,3-diene

: 1345734-98-6
(E)-8,9-dimethyldeca-5,8-dien-2-one

Conditions

Conditions	Yield
With C35H38O5P2*Br2Co; zinc(II) iodide; zinc In dichloromethane at 20℃; Inert atmosphere; regioselective reaction;	98%

: 109-49-9
1-hexen-5-one

: 766-77-8
Dimethylphenylsilane

: 52000-38-1
6-(dimethyl(phenyl)silyl)hexan-2-one

Conditions

Conditions	Yield
With platinum on carbon nanotubes In neat (no solvent) at 20℃; for 24h;	98%
With (bis(diisopropylphenyl-imidazol-2-ylidene)phenyl)CoN2 In benzene at 20℃; for 2h; chemoselective reaction;	97%
With triethyl borane; triisopropylsilanethiol In tetrahydrofuran at 20℃; regioselective reaction;	88%
With (4s,6s)-2,4,5,6-tetra(9H-carbazol-9-yl)isophthalonitrile; N-ethyl-N,N-diisopropylamine; triisopropylsilanethiol In 1,4-dioxane at 20℃; Schlenk technique; Sealed tube; Inert atmosphere; Irradiation;	62%

: 109-49-9
1-hexen-5-one

: 100-58-3
phenylmagnesium bromide

: 85924-68-1
2-phenyl-5-hexen-2-ol

Conditions

Conditions	Yield
In tetrahydrofuran at 0 - 22℃; for 1h; Inert atmosphere;	98%

: 109-49-9
1-hexen-5-one

: 140681-55-6
Selectfluor

: C13H24ClFN2O(2+)*2BF4(1-)

Conditions

Conditions	Yield
With cyclohexenone In acetonitrile for 12h; Inert atmosphere; Microwave irradiation;	98%

: 109-49-9
1-hexen-5-one

: 100-53-8
phenylmethanethiol

: 6-(benzylthio)hexan-2-one

Conditions

Conditions	Yield
With benzo[de]benzo[4,5]imidazo[2,1-a]isoquinolin-7-one In cyclohexane at 20℃; for 1h; Inert atmosphere; Sealed tube; Irradiation;	98%

: 917-64-6
methyl magnesium iodide

: 109-49-9
1-hexen-5-one

: 16744-89-1
2-methylhex-5-en-2-ol

Conditions

Conditions	Yield
In diethyl ether for 1h;	97%
	96%
In diethyl ether at 0 - 20℃;	91%

: 109-49-9
1-hexen-5-one

: 6026-02-4
(N,N-diethylamino)dimethylchlorosilane

: 1190750-57-2
N,N-diethyl-1-(hexa-1,5-dien-2-yloxy)-1,1-dimethylsilanamine

Conditions

Conditions	Yield
With n-butyllithium; diisopropylamine In tetrahydrofuran at -78 - 20℃; for 1.25h; Inert atmosphere;	97%

: 109-49-9
1-hexen-5-one

: 513-81-5
2,3-dimethyl-buta-1,3-diene

: 1254327-41-7
C12H20O

Conditions

Conditions	Yield
With cobalt(II) bromide-[1,2-bis(diphenylphosphino)ethane]; zinc(II) iodide; zinc In dichloromethane for 20h;	97%

: 109-49-9
1-hexen-5-one

: 104-94-9
4-methoxy-aniline

: 875540-94-6
C13H19NO

Conditions

Conditions	Yield
With 2-Phenylbenzothiazolin; C51H59O4P In benzene at 20℃; for 48h; Molecular sieve; Inert atmosphere; optical yield given as %ee; enantioselective reaction;	97%
With (R)-3,3'-bis(2,4,6-triisopropylphenyl)binol phosphoric acid; 2-(3,5-dimethylphenyl)indoline In 1,3,5-trimethyl-benzene at 20 - 80℃; for 72h; Molecular sieve; Inert atmosphere; enantioselective reaction;	71%

: 109-49-9
1-hexen-5-one

: 355-43-1
n-perfluorohexyl iodide

: 116486-79-4
7,7,8,8,9,9,10,10,11,11,12,12,12-Tridecafluoro-5-iodo-dodecan-2-one

Conditions

Conditions	Yield
With triethyl borane In hexane at 25℃; for 3.5h;	96%
With silver(I) acetate; tin(ll) chloride In methanol Ambient temperature;	94%
With diethylamine; 1,1'-bis-(diphenylphosphino)ferrocene; bis(benzonitrile)palladium(II) dichloride In water at 20℃; for 3h; Kharasch reaction;	79%
With tin; silver(I) acetate In methanol for 24h; Ambient temperature;	67%
titanium tetrachloride; zinc In 1,2-dimethoxyethane at 75℃; for 24h;	15%

: 109-49-9
1-hexen-5-one

: 104-94-9
4-methoxy-aniline

: 54530-02-8
N-(4-methoxyphenyl)-1-methylpent-4-enylamine

Conditions

Conditions	Yield
With formic acid; chloro-(pentamethylcyclopentadienyl)-{5-methoxy-2-{1-[(4-methoxyphenyl)imino-N]ethyl}phenyl-C}-iridium(lll); triethylamine In methanol at 80℃; for 1h; Inert atmosphere;	96%
With formic acid; triethylamine In methanol at 80℃; for 12h; Inert atmosphere;	93%
With diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; S-benzyl isothiouronium chloride In toluene at 70℃; for 48h; Molecular sieve; Inert atmosphere;	92%

: 109-49-9
1-hexen-5-one

: 2-benzyl-2-methyl-3-morpholino-3-oxopropanal

: 2-benzyl-2-methyl-1-morpholinononane-1,3,8-trione

Conditions

Conditions	Yield
With [Rh(bis(dicylohexylphosphino)methane)(C6H5F)][BArF4] In acetone at 55℃; for 18h; Inert atmosphere; Sealed tube; regioselective reaction;	96%

: 109-49-9
1-hexen-5-one

: 5-hydroxy-6-iodo-hexan-2-one

Conditions

Conditions	Yield
With N-iodo-succinimide In 1,2-dimethoxyethane; water at -20℃; for 2h; Addition; substitution;	95%
With iodine; bis-[(trifluoroacetoxy)iodo]benzene In water; acetonitrile at 0 - 20℃;

: 109-49-9
1-hexen-5-one

: 100-10-7
4-dimethylamino-benzaldehyde

: 950587-57-2
1-(4-dimethylaminophenyl)-2-propylbutane-1,3-dione

Conditions

Conditions	Yield
[Ru(H)Cl(CO)(PPh3)3] In benzene for 5h; Heating;	95%

: 109-49-9
1-hexen-5-one

: 3699-66-9
ethyl 2-diethoxyphosphorylpropionate

: ethyl (E,Z)-2,3-dimethyl-2,6-heptadienoate

Conditions

Conditions	Yield
Stage #1: ethyl 2-diethoxyphosphorylpropionate With sodium hydride In tetrahydrofuran; mineral oil Cooling with ice; Inert atmosphere; Stage #2: 5-Hexen-2-one In tetrahydrofuran; mineral oil at 20℃; for 72h; Inert atmosphere;	95%

: 109-49-9
1-hexen-5-one

: 507-09-5
thioacetic acid

: 108419-94-9
S-(5-oxohexyl) ethanethioate

Conditions

Conditions	Yield
With trifluoroacetic acid In chloroform at 66℃; for 4h;	95%

: 109-49-9
1-hexen-5-one

: 108-98-5
thiophenol

: 172419-22-6
6-Phenylsulfanyl-hexan-2-one

Conditions

Conditions	Yield
With 2,2'-azobis(isobutyronitrile) at 80 - 90℃; for 5h;	94%

: 109-49-9
1-hexen-5-one

: 1873-88-7
1,1,1,3,5,5,5-heptamethyltrisiloxan

: C13H32O3Si3

Conditions

Conditions	Yield
With (bis(diisopropylphenyl-imidazol-2-ylidene)phenyl)CoN2 In benzene at 20℃; for 5h; chemoselective reaction;	94%
Pt(0) N-heterocyclic carbene In xylene at 72℃; for 24h;	78%

: 626-35-7
nitroacetic acid ethyl ester

: 109-49-9
1-hexen-5-one

: 162739-96-0
ethyl 5-(3-oxobutyl)-4,5-dihydro-3-isoxazolecarboxylate

Conditions

Conditions	Yield
With sodium hydroxide In water at 60℃; for 72h;	94%

: 109-49-9
1-hexen-5-one

: 64-04-0
phenethylamine

: 50691-34-4
1-(2-phenylethyl)-2,5-dimethyl-1H-pyrrole

Conditions

Conditions	Yield
With palladium(II) trifluoroacetate; oxygen In toluene at 100℃; Wacker Oxidation;	94%

: 109-49-9
1-hexen-5-one

: 3963-62-0
2,2-Diphenylethylamine

: 107112-44-7
1-(2,2-diphenylethyl)-2,5-dimethyl-1H-pyrrole

Conditions

Conditions	Yield
With palladium(II) trifluoroacetate; oxygen In toluene at 100℃; Wacker Oxidation;	94%

: 109-49-9
1-hexen-5-one

: 57260-73-8
N-BOC-1,2-diaminoethane

: tert-butyl (2-(2,5-dimethyl-1H-pyrrol-1-yl)ethyl)carbamate

Conditions

Conditions	Yield
With palladium(II) trifluoroacetate; oxygen In toluene at 100℃; Wacker Oxidation;	94%

: 109-49-9
1-hexen-5-one

: 107-15-3
ethylenediamine

: 6306-70-3
1,2-bis(2,5-dimethyl-1H-pyrrol-1-yl)ethane

Conditions

Conditions	Yield
With palladium(II) trifluoroacetate; oxygen In toluene at 100℃; Wacker Oxidation;	94%

5-Hexen-2-one Specification

The 5-Hexen-2-one, with the CAS registry number 109-49-9, is also known as 5-Oxo-1-hexene. Its EINECS number is 203-675-1. This chemical's molecular formula is C₆H₁₀O and molecular weight is 98.14. What's more, its IUPAC name is hex-5-en-2-one. It should be sealed and stored in dark, ventilated, cool and dry places. What's more, it should be protected from strong oxidizers, strong reductant, acids, heat and fire. It is used to synthetize spices, pesticides and medicines.

Physical properties of 5-Hexen-2-one are: (1)ACD/LogP: 1.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.02; (4)ACD/BCF (pH 5.5): 3.5; (5)ACD/KOC (pH 5.5): 85.38; (6)#H bond acceptors: 1; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 17.07 Å²; (10)Index of Refraction: 1.408; (11)Molar Refractivity: 29.6 cm³; (12)Molar Volume: 119.7 cm³; (13)Surface Tension: 23.9 dyne/cm; (14)Density: 0.819 g/cm³; (15)Flash Point: 23.9 °C; (16)Enthalpy of Vaporization: 36.72 kJ/mol; (17)Boiling Point: 129.5 °C at 760 mmHg; (18)Vapour Pressure: 10.1 mmHg at 25°C.

Preparation: this chemical can be prepared by hex-5-en-2-one oxime at the temperature of 0°C. This reaction will need reagent pyridinium dichromate, t-butyl hydroperoxide and solvent CH₂Cl₂ with the reaction time of 4 hours. The yield is about 95%.

Uses of Sparfloxacin: it can be used to produce 2-methyl-hex-5-en-2-ol. It will need solvent diethyl ether with the reaction time of 1 hour. The yield is about 97%.

When you are using this chemical, please be cautious about it as the following:
It is flammable. You should not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer). When using it, you should avoid contacting with skin and eyes .

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)CCC=C
(2)InChI: InChI=1S/C6H10O/c1-3-4-5-6(2)7/h3H,1,4-5H2,2H3
(3)InChIKey: RNDVGJZUHCKENF-UHFFFAOYSA-N

Product Name

Allylacetone

Synthetic route

5-Hexen-2-one Specification

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