Butyrophenone supplier | CasNO.495-40-9

Name
Butyrophenone
EINECS 207-799-7
CAS No. 495-40-9
Article Data471
CAS DataBase
Density 0.962 g/cm³
Solubility Insoluble in water.
Melting Point 11-13 °C(lit.)
Formula C₁₀H₁₂O
Boiling Point 228.499 °C at 760 mmHg
Molecular Weight 148.205
Flash Point 93.641 °C
Transport Information
Appearance colourless to yellow liquid
Safety 26-36/37/39-24/25-23
Risk Codes 41-43
Molecular Structure
Hazard Symbols Xi
Synonyms Butyrophenone(6CI,8CI);1-Benzoylpropane;1-Phenyl-1-butanone;Butanophenone;NSC 8463;Phenyl n-propyl ketone;Phenyl propyl ketone;Propyl phenyl ketone;n-Butyrophenone;n-Propyl phenyl ketone;
PSA 17.07000
LogP 2.66940

Synthetic route

: 614-14-2
1-Phenyl-1-butanol

: 495-40-9
butyrophenone

Conditions

Conditions	Yield
With dinitrogen monoxide; dioxo(tetramesitylporphyrinato)ruthenium(VI) In 1,2-dichloro-ethane at 150℃; under 7600 Torr; for 7.5h;	100%
With dinitrogen monoxide; dioxo(tetramesitylporphyrinato)ruthenium(VI) In 1,2-dichloro-ethane at 150℃; under 7500.6 Torr; for 7.5h;	100%
With silica-supported Jones reagent In dichloromethane for 0.00269444h;	100%

: 35660-91-4, 35845-66-0, 495-41-0
(E)-1-phenyl-2-buten-1-one

: 495-40-9
butyrophenone

Conditions

Conditions	Yield
With indium; acetic acid In tetrahydrofuran Heating;	100%
With indium(III) chloride; Bu3SnH4 In methanol at -78 - 20℃; for 1h;	97%
With samarium diiodide; 2,4-dichlorophenoxyacetic acid dimethylamine; tert-butyl alcohol In tetrahydrofuran	93%

: 41780-81-8
1-phenyl-1-butanone 2-naphthylethanone p-toluenesulfonylhydrazone

: 495-40-9
butyrophenone

Conditions

Conditions	Yield
With copper(II) sulfate In tetrahydrofuran; methanol; water for 3h; Heating;	100%

: 17745-98-1
Bis-1-phenyl-n-butyliden-diazin

: 495-40-9
butyrophenone

Conditions

Conditions	Yield
With 2-phenyl-1,2-benzoisoselenazol-3(2H)-one; dihydrogen peroxide In methanol; water at 65℃; for 1.5h;	100%
With ammonium cerium(IV) nitrate In water; acetonitrile at 20℃; for 16h; Oxidation;	96%

: 106-94-5
propyl bromide

: 100-47-0
benzonitrile

: 495-40-9
butyrophenone

Conditions

Conditions	Yield
Stage #1: propyl bromide With iodine; magnesium In diethyl ether Stage #2: benzonitrile In diethyl ether for 6h; Heating;	100%

: 65488-05-3
4-iodobutyrophenone

: 495-40-9
butyrophenone

Conditions

Conditions	Yield
With tri(2-furyl)germane; triethyl borane In tetrahydrofuran at 20℃; for 2h; Reduction;	99%
With tri(2-furyl)germane; triethyl borane In tetrahydrofuran; hexane at 20℃; for 2h;	99%
With gallium(III) trichloride; triethyl borane; sodium bis(2-methoxyethoxy)aluminium dihydride; oxygen In tetrahydrofuran; hexane; toluene at 0℃; for 9h;	80%
With (2-((dimethylamino)methyl)phenyl)dimethyltin In tetrahydrofuran at 20℃; for 12h;	98 % Chromat.
In N,N,N,N,N,N-hexamethylphosphoric triamide Rate constant; Mechanism; Ambient temperature; Irradiation; transient absorption spectra at various times after irradiation; other solvents;

: 1619-58-5
2-cyano-butyric acid ethyl ester

: 98-80-6
phenylboronic acid

: 495-40-9
butyrophenone

Conditions

Conditions	Yield
With trifluorormethanesulfonic acid; water; palladium diacetate; 2-(3,5-dimethyl-1H-pyrazol-1-yl)pyridine at 60℃; for 5h;	99%

: 495-41-0
1-phenylbut-2-en-1-one

: 495-40-9
butyrophenone

Conditions

Conditions	Yield
With tri-n-butyl-tin hydride In benzene at 20 - 80℃; for 3h; Inert atmosphere;	98%
With formic acid; [Pd(C,N-2-chloro-7-(mesitylimidazolylidenylmethyl)naphthyridine)(η3-allyl)](BF4); triethylamine In isopropyl alcohol for 16h; Inert atmosphere; Reflux;	96%
With Li(1+)*HSe(1-); water In tetrahydrofuran at 50℃; for 5h;	95%

: 877-35-0
2-bromo-1-phenylbutan-1-one

: 495-40-9
butyrophenone

Conditions

Conditions	Yield
With diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; acetic acid for 1.3h; Irradiation; Inert atmosphere;	98%
With N,N,N,N,-tetramethylethylenediamine; diisobutylaluminium hydride; tin(ll) chloride In tetrahydrofuran; toluene at -78℃; for 0.166667h;	90%
With indium; water for 7.5h; ultrasound;	85%
With hydrogen selenide; triethylamine In methanol at -20℃; for 3h; Yield given;

: 73258-08-9
1,2-diphenylcyclopentene ozonide

A: 39755-03-8
4-hydroxy-1-phenyl-butan-1-one

B: 495-40-9
butyrophenone

C: 529-34-0
3,4-dihydronaphthalene-1(2H)-one

D: 65-85-0
benzoic acid

Conditions

Conditions	Yield
With iron(II) sulfate In tetrahydrofuran; water at 20℃; for 16h; Product distribution; Mechanism; other ozonides; 18O-tracer exp. with ethereal oxygen labeled; reduction also in presence of 18O-labeled H2O or D2O;	A 7% B 33% C 19% D 98%
With iron(II) sulfate In tetrahydrofuran; water at 20℃; for 16h;	A 7% B 33% C 19% D 98%

...Expand

: 52755-38-1, 52755-39-2, 87246-95-5, 92075-81-5, 100017-30-9, 115793-56-1, 146566-32-7, 3347-57-7
1-phenyl-2-buten-1-ol

: 495-40-9
butyrophenone

Conditions

Conditions	Yield
With [RuCl(η5-(3-phenyl)indenyl)(PPh3)2] In toluene at 20℃; for 1h;	97%
Multi-step reaction with 3 steps 1: n-butyllithium / tetrahydrofuran / 0 °C / Inert atmosphere 2: [RhCl2(p-cymene)]2; phosphorous acid trimethyl ester / tetrahydrofuran / 2 h / 67 °C / Inert atmosphere 3: water / tetrahydrofuran / Inert atmosphere View Scheme

: 54431-10-6
butyrophenone phenylhydrazone

: 495-40-9
butyrophenone

Conditions

Conditions	Yield
With copper(II) sulfate In tetrahydrofuran; methanol; water for 2h; Heating;	95%

: 622-76-4
1-phenyl-1-butyne

: 495-40-9
butyrophenone

Conditions

Conditions	Yield
With water In neat (no solvent) at 100℃; for 22h; Green chemistry; regioselective reaction;	93%
With iron(III) chloride; water; silver(I) triflimide In 1,4-dioxane at 95℃; for 60h; regioselective reaction;	92%
With trifluorormethanesulfonic acid; water In 2,2,2-trifluoroethanol at 25℃; for 45h; Sealed tube; regioselective reaction;	92%

: 52755-39-2
(2E)-1-phenylbut-2-en-1-ol

: 495-40-9
butyrophenone

Conditions

Conditions	Yield
With chloro(1,5-cyclooctadiene)rhodium(I) dimer; cesium acetate; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene In tetrahydrofuran at 70℃; for 15h; Glovebox; Sealed tube; Inert atmosphere;	93%
With iron pentacarbonyl In pentane for 5h; UV-irradiation;	64%
With Cp*RuCl(Ph2P(CH2)2NH2-κ2-P,N) In toluene at 30℃; for 1h;	99 % Spectr.

: 80735-94-0
1-Phenyl-3-buten-1-ol

: 495-40-9
butyrophenone

Conditions

Conditions	Yield
With C30H29BrMnNO2P2; potassium tert-butylate In toluene at 120℃; for 1h;	93%
With Fe(II)(bis(2-(diisopropylphosphino)ethyl)amine)(CO)(H)(Cl); potassium tert-butylate In toluene at 80℃; for 1h; Inert atmosphere;	88%
With chloro(1,5-cyclooctadiene)rhodium(I) dimer; cesium acetate; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene In tetrahydrofuran at 70℃; for 15h; Glovebox; Sealed tube; Inert atmosphere;	88%

: 112342-79-7, 112342-81-1, 1956-46-3
n-butyrophenone oxime

: 495-40-9
butyrophenone

Conditions

Conditions	Yield
With ferrous(II) sulfate heptahydrate; benzyl seleninic acid In ethyl acetate at 60℃; for 24h; Green chemistry;	93%
With dibenzyl diselenide; dihydrogen peroxide In acetonitrile at 60℃; for 24h;	67%
With wool supported manganese dioxide nanoparticles at 20℃; for 7h;	94 %Chromat.
With Manganese dioxide nanostructures coated on natural silk at 20℃; for 0.0833333h;

: 104-51-8
1-butylbenzene

: 495-40-9
butyrophenone

Conditions

Conditions	Yield
With potassium permanganate; Rexyn 101 H ion exchange resin In dichloromethane for 5.45h; Heating;	92%
With manganese(IV) oxide; potassium permanganate In dichloromethane at 20℃; for 27h;	92%
With tert.-butylhydroperoxide In water at 20℃; for 48h; Sealed tube;	92%

: 108350-39-6
2-iodo-1-phenylbutan-1-one

: 495-40-9
butyrophenone

Conditions

Conditions	Yield
With indium; water for 3.5h; ultrasound;	91%

: 591-50-4
iodobenzene

: 123-72-8
butyraldehyde

: 495-40-9
butyrophenone

Conditions

Conditions	Yield
With caesium carbonate In 1,4-dioxane for 8h; Reflux;	91%
With C20H19Cl2PPdS; caesium carbonate In 1,4-dioxane; dichloromethane at 100℃; for 16h; Reagent/catalyst;	59%
With dibromo[1,2-bis(diphenylphosphino)ethane]nickel(II); zinc In tetrahydrofuran at 110℃; for 36h;	33%

: 7782-21-0
(RS)-2-phenylpentanoic acid

: 495-40-9
butyrophenone

Conditions

Conditions	Yield
With mercury(II) fluoride; oxygen In acetonitrile at 25℃; for 24h; Irradiation;	91%

: 109-74-0
propyl cyanide

: 98-80-6
phenylboronic acid

: 495-40-9
butyrophenone

Conditions

Conditions	Yield
With trifluorormethanesulfonic acid; palladium diacetate; 2-(3,5-dimethyl-1H-pyrazol-1-yl)pyridine In water at 60℃; for 4.5h;	91%
With 1,10-Phenanthroline; nickel(II) bromide 2-methoxyethyl ether complex; sodium hydrogencarbonate In water at 100℃; for 5h; Autoclave;	83%
With bathophenanthroline; water; copper diacetate; manganese(III) triacetate dihydrate In 1,4-dioxane at 90℃;	76%

: 141-75-3
butyryl chloride

: 71-43-2
benzene

: 495-40-9
butyrophenone

Conditions

Conditions	Yield
Stage #1: butyryl chloride With aluminum (III) chloride In 1,2-dichloro-ethane at 0℃; for 0.166667h; Friedel-Crafts Acylation; Stage #2: benzene In 1,2-dichloro-ethane at 50℃; for 2h; Friedel-Crafts Acylation;	90%
With aluminium trichloride
With aluminum (III) chloride
Stage #1: butyryl chloride With aluminum (III) chloride In 1,2-dichloro-ethane at 0℃; for 0.166667h; Stage #2: benzene In 1,2-dichloro-ethane at 0 - 50℃; for 2h;
With aluminum (III) chloride In dichloromethane Friedel-Crafts Acylation;

: 591-50-4
iodobenzene

: 201230-82-2
carbon monoxide

: 107-08-4
1-iodo-propane

: 495-40-9
butyrophenone

Conditions

Conditions	Yield
With copper; zinc; tetrakis(triphenylphosphine) palladium(0) In tetrahydrofuran at 50℃; under 760 Torr; for 24h;	90%
With copper; zinc; tetrakis(triphenylphosphine) palladium(0) In tetrahydrofuran at 50℃; under 760 Torr; for 24h; Product distribution; new ketone synthesis; aryl iodides with alkyl iodides or benzyl chlorides;	90%

...Expand

: 14387-51-0
2-phenyl-2-propyl acetamide

: 495-40-9
butyrophenone

Conditions

Conditions	Yield
With tetraethylammonium bromide; 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione In acetonitrile at 20 - 60℃;	90%

: 109-74-0
propyl cyanide

: 2622-05-1
allylmagnesium bromide

: 591-51-5
phenyllithium

A: 4-phenylhept-1-en-4-amine

B: 495-40-9
butyrophenone

Conditions

Conditions	Yield
Stage #1: propyl cyanide; phenyllithium With water In dibutyl ether at 20℃; for 0.0166667h; Inert atmosphere; Schlenk technique; Stage #2: allylmagnesium bromide With water In dibutyl ether at 20℃; for 0.0833333h; Inert atmosphere; Schlenk technique; chemoselective reaction;	A 90% B 10%

...Expand

: 64-17-5
ethanol

: 98-85-1, 13323-81-4
1-Phenylethanol

: 495-40-9
butyrophenone

Conditions

Conditions	Yield
With chlorine[2-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxypyridine](pentamethylcyclopentadienyl)iridium(III) chloride; potassium hydroxide In water at 80℃; Schlenk technique; Inert atmosphere;	90%
With chlorine[2-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxypyridine](pentamethylcyclopentadienyl)iridium(III) chloride; potassium hydroxide In water at 80℃; for 16h; Schlenk technique; Inert atmosphere; chemoselective reaction;	90%

: 66731-84-8
diethyl 1-trimethylsilyloxy-1-phenylbutylphosphonate

: 495-40-9
butyrophenone

Conditions

Conditions	Yield
With sodium hydroxide In ethanol for 0.333333h;	88%

: 5660-57-1
2-phenyl-2-propyl-1,3-dioxolane

: 495-40-9
butyrophenone

Conditions

Conditions	Yield
With sodium tetrahydroborate; nickel(II) chloride hexahydrate In methanol for 3.5h; Reflux; chemoselective reaction;	88%

: 5676-32-4
α-n-propylstyrene

: 495-40-9
butyrophenone

Conditions

Conditions	Yield
With monoethylene glycol diethyl ether at 90℃; for 12h; Green chemistry;	88%
With 1-hydroxy-pyrrolidine-2,5-dione; graphitic carbon nitride; oxygen In acetonitrile at 20℃; Inert atmosphere; Irradiation;	72%

: 1942-45-6
4-Octyne

: 133745-75-2
N-fluorobis(benzenesulfon)imide

: 495-40-9
butyrophenone

Conditions

Conditions	Yield
With tert.-butylhydroperoxide; water; copper(II) sulfate In acetonitrile at 80℃; for 4h; Schlenk technique; Inert atmosphere;	88%

: 495-40-9
butyrophenone

: 112342-79-7, 112342-81-1, 1956-46-3
n-butyrophenone oxime

Conditions

Conditions	Yield
With hydroxylamine hydrochloride; sodium acetate In ethanol; water at 95℃;	100%
With hydroxylamine hydrochloride; sodium acetate In ethanol; water for 2h; Reflux;	89%

: 495-40-9
butyrophenone

: 877-35-0
2-bromo-1-phenylbutan-1-one

Conditions

Conditions	Yield
With bromine at 20℃; for 0.333333h;	100%
With Oxalyl bromide In dichloromethane; dimethyl sulfoxide at -10 - 30℃; for 0.666667h; Inert atmosphere;	95%
With Oxalyl bromide; dimethyl sulfoxide In dichloromethane at -10 - 30℃; for 0.5h; Inert atmosphere;	95%

: 773837-37-9
sodium cyanide

: 495-40-9
butyrophenone

: 62-53-3
aniline

: 68230-34-2
2-Phenyl-2-phenylamino-pentanenitrile

Conditions

Conditions	Yield
In acetic acid at 5 - 20℃; for 13h;	100%

...Expand

: 540-63-6
ethane-1,2-dithiol

: 495-40-9
butyrophenone

: 5769-03-9
2-phenyl-2-propyl-1,3-dithiolane

Conditions

Conditions	Yield
With amberlyst-15 In acetonitrile for 1h;	99.9%
With PPA; silica gel In 1,2-dichloro-ethane at 20℃; for 2h;	45%
With silica-supported aluminum chloride In 1,2-dichloro-ethane for 3h; Heating;	17%
With hydrogenchloride

: 109-80-8
1.3-propanedithiol

: 495-40-9
butyrophenone

: 60832-18-0
2-phenyl-2-propyl-1,3-dithiane

Conditions

Conditions	Yield
With amberlyst-15 In acetonitrile for 1h;	99.9%

: 495-40-9
butyrophenone

: 17356-08-0
thiourea

: 34176-47-1
5-ethyl-4-phenyl-1,3-thiazol-2-amine

Conditions

Conditions	Yield
With iodine at 100℃;	99%
With iodine
With iodine at 100℃; for 14h;

: 495-40-9
butyrophenone

: 614-14-2
1-Phenyl-1-butanol

Conditions

Conditions	Yield
With Tetrahydrofurfuryl alcohol; sodium tetrahydroborate; ethanol; (S,S)-(β-oxoaldiminato)cobalt(II) In chloroform at -20℃; for 12h;	99%
With sodium tetrahydroborate In ethanol for 5h;	96.2%
With C44H40ClN2NiP2(1+)*F6P(1-); hydrogen; potassium hydroxide In isopropyl alcohol at 120℃; under 30003 Torr; for 12h; Autoclave;	96%

: 495-40-9
butyrophenone

: 22135-49-5
(S)-1-phenylbutan-1-ol

Conditions

Conditions	Yield
With bis(1,5-cyclooctadiene)diiridium(I) dichloride; C53H73FeN2O2PS; hydrogen; lithium tert-butoxide In isopropyl alcohol at 25 - 30℃; under 22801.5 Torr; for 12h; Autoclave; enantioselective reaction;	99%
With sodium tetrahydroborate; third-generation glucose-persubstituted amidoamine dendrimer In tetrahydrofuran at 25℃;	96%
With C58H56Cl2N2P2Ru; potassium tert-butylate; hydrogen In isopropyl alcohol at 25℃; under 6080.41 Torr; for 3h; Inert atmosphere; optical yield given as %ee;	96%

: 7677-24-9
trimethylsilyl cyanide

: 495-40-9
butyrophenone

: 2-phenyl-2-trimethylsilyloxy-pentanenitrile

Conditions

Conditions	Yield
With N,N-dimethyl-(2-hydroxybenzyl)amine N-oxide In diethyl ether at 23℃; for 3h;	99%
With tin ion-exchanged montmorillonite In dichloromethane at 20℃; for 0.0333333h; Inert atmosphere;	98%
indium(III) bromide In dichloromethane at 20℃; for 16h;	96%
With indium(III) bromide In dichloromethane at 20℃; for 3h;	94%

: 141-97-9
ethyl acetoacetate

: 495-40-9
butyrophenone

: 109-77-3
malononitrile

: 1235990-51-8
6-amino-2,4-dihydro-3-methyl-4-phenyl-4-propylpyrano[2,3-c]pyrazole-5-carbonitrile

Conditions

Conditions	Yield
With hydrazine hydrate; heptakis(6-amino-6-deoxy)-β-cyclodextrin at 20℃; for 0.0166667h; Neat (no solvent);	99%

...Expand

: 2564-83-2
2,2,6,6-tetramethyl-piperidine-N-oxyl

: 495-40-9
butyrophenone

: 1394206-52-0
1-phenyl-2-((2,2,6,6-tetramethylpiperidin-1-yl)oxy)butan-1-one

Conditions

Conditions	Yield
With 2,6-di-tert-butyl-pyridine; 2-chloro-1,3,2-benzodioxaborole In dichloromethane at 0 - 20℃; for 3h;	99%

: 495-40-9
butyrophenone

: 1-phenyl-1-butanone-d12

Conditions

Conditions	Yield
With 10% Pt/activated carbon; water-d2 In cyclohexane; isopropyl alcohol at 80℃; for 24h; Inert atmosphere;	99%

: 67-56-1
methanol

: 495-40-9
butyrophenone

: 938-87-4
2-methyl-1-phenyl-butan-1-one

Conditions

Conditions	Yield
With trimethylamine-N-oxide; tricarbonyl(η4-1,3-bis(trimethylsilyl)-4,5,6,7-tetrahydro-2H-inden-2-one)iron; potassium carbonate at 80℃; for 24h; Catalytic behavior; Reagent/catalyst; Temperature;	99%
With C34H27IrN2P(1+)*C32H12BF24(1-); caesium carbonate at 65℃; for 24h; Reagent/catalyst; Inert atmosphere;	97%
With bis[dichloro(pentamethylcyclopentadienyl)ruthenium(III)]; bis[2-(diphenylphosphino)phenyl] ether; lithium tert-butoxide at 110℃; for 24h; Catalytic behavior; Reagent/catalyst; Temperature; Inert atmosphere; regioselective reaction;	96%

: 7175-47-5
4-methylphenyl isocyanide

: 495-40-9
butyrophenone

: C18H19NO

Conditions

Conditions	Yield
With 1,3-bis(mesityl)imidazolium chloride; sodium t-butanolate In N,N-dimethyl acetamide at 80℃; for 12h;	99%

: 77086-38-5
ketene t-butyldimethylsilyl methyl acetal

: 495-40-9
butyrophenone

: methyl 3-((tert-butyldimethylsilyl)oxy)-3-phenylhexanoate

Conditions

Conditions	Yield
Stage #1: propiophenone With bis(trifluoromethanesulfonyl)amide In diethyl ether at -78 - 23℃; Mukaiyama Aldol Addition; Schlenk technique; Inert atmosphere; Stage #2: ketene t-butyldimethylsilyl methyl acetal In diethyl ether at -20℃; for 0.5h; Mukaiyama Aldol Addition; Schlenk technique; Inert atmosphere;	99%

: 495-40-9
butyrophenone

: 104-51-8
1-butylbenzene

Conditions

Conditions	Yield
With amalgamated zinc; hydrogen iodide In methanol for 5h; Irradiation;	98%
With hydrogen; K-10 montmorillonite; platinum In diethylene glycol dimethyl ether under 37503 Torr; for 30h; Reduction;	97%
With hydrogen In 1,4-dioxane at 220℃; under 15001.5 Torr;	97.3%

: 495-40-9
butyrophenone

: 22144-60-1
(R)-1-butylphenylethanol

Conditions

Conditions	Yield
With (2-((2,4-dimethyl-5-phenylimidazo[1,5-b]pyridazin-7-yl)amido)-4-methylpentan-1-ol)(1,5-cyclooctadiene)iridium(I); potassium tert-butylate; hydrogen; acetone In tetrahydrofuran at 20℃; under 15.0015 Torr; for 48h; Autoclave; optical yield given as %ee; enantioselective reaction;	98%
With triethylboron hydride; hydrogen; (R)-CoCl2[4'-phenyl-5-OMeCH3PyCH2NH(CH2)2PPh2]; tris(5-ethyl-2-furanyl)phosphine; caesium carbonate In diethyl ether at 25℃; under 30003 Torr; for 12h; Autoclave; enantioselective reaction;	98%
With C44H48FeIrNO2P(1+)*C32H12BF24(1-); hydrogen; sodium carbonate In methanol at 20℃; under 3750.38 Torr; for 24h; Autoclave; enantioselective reaction;	97%

: 495-40-9
butyrophenone

: 129848-88-0
[2,2-d2]-1-phenylbutan-1-one

Conditions

Conditions	Yield
With [D]-sodium hydroxide; deuteromethanol In water-d2 for 15h; Reflux;	98%
by exchanging twice, 2 M NaOH, reflux, 16 h; Multistep reaction;
Multi-step reaction with 2 steps 1: bromine / dichloromethane / 0.25 h 2: water-d2; potassium carbonate / d(4)-methanol / 20 h / 20 °C / Inert atmosphere View Scheme

: 72824-04-5
2-Allyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

: 495-40-9
butyrophenone

: 124734-11-8
4-phenylhept-1-en-4-ol

Conditions

Conditions	Yield
With methanol; indium (III) tris(hexamethyldisilyl) amide In toluene at 20℃; for 6h; Inert atmosphere;	98%
With indium In water at 30℃; for 24h; Inert atmosphere;	92%

: 495-40-9
butyrophenone

: 28273-67-8
(Z)-(1-chloro-1-butenyl)benzene

Conditions

Conditions	Yield
With silica gel; acetyl chloride; zinc(II) chloride In 1,2-dichloro-ethane at 30℃; for 1h;	97%
With silica-supported ZnCl2 (30%); acetyl chloride In 1,2-dichloro-ethane for 1h; Inert atmosphere;	85%
With iron(III) chloride; butyryl chloride

Butyrophenone Specification

The Butyrophenone, with the CAS registry number 495-40-9, is also known as Propyl phenyl ketone. It belongs to the product categories of Pharmaceutical Intermediates; Aromatic Ketones (substituted); Ketone. Its EINECS registry number is 207-799-7. This chemical's molecular formula is C₁₀H₁₂O and molecular weight is 148.2. Its IUPAC name is called 1-phenylbutan-1-one.

Physical properties of Butyrophenone: (1)ACD/LogP: 2.69; (2)ACD/LogD (pH 5.5): 2.693; (3)ACD/LogD (pH 7.4): 2.693; (4)ACD/BCF (pH 5.5): 65.535; (5)ACD/BCF (pH 7.4): 65.535; (6)ACD/KOC (pH 5.5): 694.772; (7)ACD/KOC (pH 7.4): 694.772; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 3; (10)Index of Refraction: 1.503; (11)Molar Refractivity: 45.547 cm³; (12)Molar Volume: 153.977 cm³; (13)Surface Tension: 34.077 dyne/cm; (14)Density: 0.962 g/cm³; (15)Flash Point: 93.641 °C; (16)Enthalpy of Vaporization: 46.509 kJ/mol; (17)Boiling Point: 228.499 °C at 760 mmHg; (18)Vapour Pressure: 0.073 mmHg at 25°C.

Preparation of Butyrophenone: this chemical can be prepared by butylbenzene. This reaction will need reagent o-iodoxybenzoic acid and solvents fluorobenzene, dimethylsulfoxide. The reaction time is 8 hours with reaction temperature of 80 °C. The yield is about 72%.

Butyrophenone can be prepared by butylbenzene

Butyrophenones are a class of pharmaceutical drugs derived from butyrophenone. Examples include: (1)Haloperidol, the most widely used classical antipsychotic drug in this class; (2)Droperidol, often used for neuroleptanalgesic anesthesia and sedation in intensive-care treatment; (3)Benperidol, the most potent commonly-used antipsychotic ( 200 times more potent than chlorpromazine); (4)Triperidol, a highly-potent antipsychotic (100 times more potent than chlorpromazine); (5)Melperone, a weakly-potent antipsychotic, in Europe commonly used for treatment of insomnia, confusional states, psychomotor agitation, and delirium, in particular, in geriatric patients; (6)Lenperone; (7)Domperidone, a dopamine-antagonist antiemetic, derived further from butyrophenone (not being a butyrophenone itself).

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. There will be a risk of serious damage to eyes. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCC(=O)C1=CC=CC=C1
(2)InChI: InChI=1S/C10H12O/c1-2-6-10(11)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3
(3)InChIKey: FFSAXUULYPJSKH-UHFFFAOYSA-N

Product Name

Butyrophenone

Synthetic route

Butyrophenone Specification

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