Product Name

  • Name

    4-ACETYLBENZONITRILE

  • EINECS 215-885-0
  • CAS No. 1443-80-7
  • Article Data276
  • CAS DataBase
  • Density 1.11 g/cm3
  • Solubility Soluble in chloroform. Insoluble in water.
  • Melting Point 56-59 ºC(lit.)
  • Formula C9H7NO
  • Boiling Point 293.3 ºC at 760 mmHg
  • Molecular Weight 145.161
  • Flash Point 131.2 ºC
  • Transport Information
  • Appearance slightly yellow solid
  • Safety 36/37/39-26-22
  • Risk Codes 36/37/38-20/21/22
  • Molecular Structure Molecular Structure of 1443-80-7 (4-ACETYLBENZONITRILE)
  • Hazard Symbols HarmfulXn,IrritantXi
  • Synonyms Benzonitrile,p-acetyl- (6CI,7CI,8CI);1-(4-Cyanophenyl)ethanone;1-Acetyl-4-benzonitrile;4-Cyanoacetophenone;4-Cyanophenyl methyl ketone;Methyl p-cyanophenyl ketone;p-Acetylbenzonitrile;p-Cyanophenyl methyl ketone;
  • PSA 40.86000
  • LogP 1.76088

Synthetic route

4-Cyanophenacyl bromide
20099-89-2

4-Cyanophenacyl bromide

4-cyanophenyl methyl ketone
1443-80-7

4-cyanophenyl methyl ketone

Conditions
ConditionsYield
With AcrH2; perchloric acid; tris(2,2’-bipyridine)ruthenium(II) In acetonitrile at 298℃; for 8h; Irradiation;100%
With AcrH2; perchloric acid; tris(2,2’-bipyridine)ruthenium(II) In acetonitrile at 298℃; for 8h; Quantum yield; Mechanism; Irradiation; Electron-Transfer Rate Constants ;;100%
With ammonium chloride; zinc In ethanol at 80℃; for 0.00833333h; microwave irradiation;99%
4-Iodoacetophenone
13329-40-3

4-Iodoacetophenone

sodium cyanide
143-33-9

sodium cyanide

4-cyanophenyl methyl ketone
1443-80-7

4-cyanophenyl methyl ketone

Conditions
ConditionsYield
With copper(l) iodide; tetrabutylammomium bromide In water at 170℃; under 10343.2 Torr; for 0.05h; microwave irradiation;99%
With sodium tetrahydroborate; zinc(II) chloride; Na2{PdCl2(Ph2P(m-C6H4SO3))2} In n-heptane; water for 1h; Heating;91%
nickel cyanide
557-19-7

nickel cyanide

para-bromoacetophenone
99-90-1

para-bromoacetophenone

4-cyanophenyl methyl ketone
1443-80-7

4-cyanophenyl methyl ketone

Conditions
ConditionsYield
In 1-methyl-pyrrolidin-2-one; water at 200℃; under 10343 Torr; for 0.166667h; microwave irradiation;99%
4-Iodoacetophenone
13329-40-3

4-Iodoacetophenone

copper(l) cyanide

copper(l) cyanide

4-cyanophenyl methyl ketone
1443-80-7

4-cyanophenyl methyl ketone

Conditions
ConditionsYield
With tetrabutylammomium bromide In water at 170℃; under 10343.2 Torr; for 0.05h; microwave irradiation;99%
zinc(II) cyanide
557-21-1

zinc(II) cyanide

para-bromoacetophenone
99-90-1

para-bromoacetophenone

4-cyanophenyl methyl ketone
1443-80-7

4-cyanophenyl methyl ketone

Conditions
ConditionsYield
With [(2-di-tert-butylphosphino-2′,4′,6′-triisopropyl-1, 1′-biphenyl)-2-(2′-amino-1,1′-biphenyl)] palladium(II) methanesulfonate In tetrahydrofuran; water at 20℃; for 18h; Inert atmosphere;99%
With 1,1'-bis-(diphenylphosphino)ferrocene; palladium 10% on activated carbon; zinc(II) formate dihydrate In N,N-dimethyl acetamide at 100℃; for 12h; Inert atmosphere;89%
sodium cyanide
773837-37-9

sodium cyanide

para-bromoacetophenone
99-90-1

para-bromoacetophenone

4-cyanophenyl methyl ketone
1443-80-7

4-cyanophenyl methyl ketone

Conditions
ConditionsYield
With tri-tert-butyl phosphine; [Pd2(dba)5]; zinc In tetrahydrofuran; acetonitrile at 70℃; for 2h;99%
4-oxiran-2-ylbenzonitrile
52695-39-3

4-oxiran-2-ylbenzonitrile

4-cyanophenyl methyl ketone
1443-80-7

4-cyanophenyl methyl ketone

Conditions
ConditionsYield
With 1,4-diaza-bicyclo[2.2.2]octane; copper(II) choride dihydrate In toluene at 80℃; for 24h; Meinwald Rearrangement; Inert atmosphere;99%
para-chloroacetophenone
99-91-2

para-chloroacetophenone

2-hydroxy-2-methylpropanenitrile
75-86-5

2-hydroxy-2-methylpropanenitrile

4-cyanophenyl methyl ketone
1443-80-7

4-cyanophenyl methyl ketone

Conditions
ConditionsYield
With [Pd(cinnamyl)Cl]2; N-ethyl-N,N-diisopropylamine; XPhos In isopropyl alcohol at 80℃; for 2h; Inert atmosphere;98%
With N,N,N,N,-tetramethylethylenediamine; 1,5-bis-(diphenylphosphino)pentane; sodium carbonate; palladium diacetate In N,N-dimethyl acetamide at 140℃; for 21h;89 % Chromat.
4-acetylphenyl mesylate
69497-83-2

4-acetylphenyl mesylate

dicyanozinc
557-21-1

dicyanozinc

4-cyanophenyl methyl ketone
1443-80-7

4-cyanophenyl methyl ketone

Conditions
ConditionsYield
With palladium diacetate; PS-triphenylphosphine In tetrahydrofuran at 120℃; for 1.5h;98%
potassiumhexacyanoferrate(II) trihydrate

potassiumhexacyanoferrate(II) trihydrate

para-bromoacetophenone
99-90-1

para-bromoacetophenone

4-cyanophenyl methyl ketone
1443-80-7

4-cyanophenyl methyl ketone

Conditions
ConditionsYield
With potassium phosphate tribasic trihydrate; C38H28O4P2Pd In N,N-dimethyl-formamide at 130℃; for 12h;98%
With sodium carbonate In water; N,N-dimethyl-formamide at 120℃; for 10h; Catalytic behavior; Reagent/catalyst; Solvent; Temperature;96%
With tris-(dibenzylideneacetone)dipalladium(0); tris(2-morpholinophenyl)phosphine; potassium carbonate In water; tert-butyl alcohol at 85℃; for 5h; Schlenk technique; Inert atmosphere;95%
4-ethylbenzonitrile
25309-65-3

4-ethylbenzonitrile

4-cyanophenyl methyl ketone
1443-80-7

4-cyanophenyl methyl ketone

Conditions
ConditionsYield
With Oxone; potassium bromide In dichloromethane; water at 20℃; for 24h; visible light irradiation;98%
Stage #1: 4-ethylbenzonitrile With cis-RuCl2(4,4'-di-tert-butyl-2,2'-bipyridine)2; acetic acid In water for 0.0333333h; Darkness;
Stage #2: With periodic acid In water for 4h; Darkness; chemoselective reaction;		72%
Stage #1: 4-ethylbenzonitrile With dichlorobis(4,4'-di-tert-butyl-2,2'-bipyridine)ruthenium(II); acetic acid In water for 0.0333333h; Darkness;
Stage #2: With periodic acid In water for 4h; Darkness;		72%
p-formylacetophenone
3457-45-2

p-formylacetophenone

4-cyanophenyl methyl ketone
1443-80-7

4-cyanophenyl methyl ketone

Conditions
ConditionsYield
With sodium azide; trifluorormethanesulfonic acid In acetonitrile at 20℃; for 0.0333333h; Schmidt reaction; chemoselective reaction;98%
Stage #1: p-formylacetophenone With hydroxylamine hydrochloride; triethylamine In dichloromethane at 20℃; for 0.0833333h;
Stage #2: With potassium hydrogen difluoride; 3-(imidazole-1-sulfonyl)-1-methyl-3H-imidazol-1-ium triflate In water at 20℃; for 3h;		95%
With hydroxylamine hydrochloride In methanol; water at 20℃; for 18h; Irradiation;88%
With ferric(III) bromide; trimethylsilylazide In acetonitrile at 60℃; for 4h;67%
With ammonia; oxygen In tert-Amyl alcohol at 40℃; under 750.075 Torr; for 24h; Green chemistry;94 %Chromat.
4-(1-hydroxyethyl)benzonitrile
101219-69-6, 101219-71-0, 134679-06-4, 52067-35-3

4-(1-hydroxyethyl)benzonitrile

3,3-dimethyldioxirane
74087-85-7

3,3-dimethyldioxirane

A

4-cyanophenyl methyl ketone
1443-80-7

4-cyanophenyl methyl ketone

B

2-hydroxy-1-(4-cyanophenyl)ethan-1-one
36776-32-6

2-hydroxy-1-(4-cyanophenyl)ethan-1-one

Conditions
ConditionsYield
In acetone at 25℃; for 3h;A 97%
B 2%
In acetone at 25℃; for 3h; Rate constant;A 97%
B 2%
...Expand
4-Iodoacetophenone
13329-40-3

4-Iodoacetophenone

potassium ferrocyanide

potassium ferrocyanide

4-cyanophenyl methyl ketone
1443-80-7

4-cyanophenyl methyl ketone

Conditions
ConditionsYield
With 10% Pd/C; sodium fluoride In water at 130℃; for 2h; Microwave irradiation;97%
With copper(l) iodide; sodium carbonate In N,N-dimethyl acetamide for 2h; Reflux;95%
With [Pd{C6H3(CH2CH2NH2)-4-OMe-5-κ2-C,N}(μ-Br)]2; potassium carbonate In N,N-dimethyl-formamide at 130℃; for 0.1h; Microwave irradiation;93%
para-bromoacetophenone
99-90-1

para-bromoacetophenone

potassium ferrocyanide

potassium ferrocyanide

4-cyanophenyl methyl ketone
1443-80-7

4-cyanophenyl methyl ketone

Conditions
ConditionsYield
With dichlorobis(dibenzyl diisopropylphosphoramidite)palladium(II); sodium fluoride In N,N-dimethyl-formamide at 130℃; for 16h; Reagent/catalyst;97%
With dichloro[bis{1-(dicyclohexylphosphanyl)piperidine}]palladium; sodium carbonate In 1-methyl-pyrrolidin-2-one at 140℃; for 6h; Inert atmosphere;94%
With caesium carbonate In N,N-dimethyl-formamide at 130℃; for 8h; Inert atmosphere; Sealed tube;94%
potassium hexacyanoferrate(II) trihydrate

potassium hexacyanoferrate(II) trihydrate

para-bromoacetophenone
99-90-1

para-bromoacetophenone

4-cyanophenyl methyl ketone
1443-80-7

4-cyanophenyl methyl ketone

Conditions
ConditionsYield
With Palladium Nanoparticles with two shape-persistent covalent cages CC1' In N,N-dimethyl-formamide at 140℃; for 15h; Reagent/catalyst; Inert atmosphere;97%
With tetrabutylammomium bromide; copper(II) acetate monohydrate; potassium iodide In water at 20 - 140℃; Microwave irradiation;32%
With sodium carbonate In N,N-dimethyl-formamide at 110℃; for 20h; Catalytic behavior; Sealed tube;97 %Chromat.
tert-butylisonitrile
119072-55-8, 7188-38-7

tert-butylisonitrile

4-Iodoacetophenone
13329-40-3

4-Iodoacetophenone

4-cyanophenyl methyl ketone
1443-80-7

4-cyanophenyl methyl ketone

Conditions
ConditionsYield
With copper (II) trifluoroacetate hydrate; palladium diacetate In dimethyl sulfoxide at 130℃; for 6h; Sealed tube; Inert atmosphere;97%
para-bromoacetophenone
99-90-1

para-bromoacetophenone

2-hydroxy-2-methylpropanenitrile
75-86-5

2-hydroxy-2-methylpropanenitrile

4-cyanophenyl methyl ketone
1443-80-7

4-cyanophenyl methyl ketone

Conditions
ConditionsYield
Stage #1: para-bromoacetophenone With copper(l) iodide; 1,10-Phenanthroline; potassium iodide In N,N-dimethyl-formamide at 110℃; for 6h;
Stage #2: 2-hydroxy-2-methylpropanenitrile With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 110℃; for 60h;		96%
With 1,1'-bis-(diphenylphosphino)ferrocene; [(N,N,N',N'-tetramethylethylendiamine)NiCl(o-tolyl)]; N-ethyl-N,N-diisopropylamine In isopropyl alcohol at 80℃; for 2h; Inert atmosphere;86%
With N,N,N,N,-tetramethylethylenediamine; 1,5-bis-(diphenylphosphino)pentane; sodium carbonate; palladium diacetate In N,N-dimethyl acetamide at 100℃; for 21h;100 % Chromat.
zinc(II) cyanide
557-21-1

zinc(II) cyanide

para-chloroacetophenone
99-91-2

para-chloroacetophenone

4-cyanophenyl methyl ketone
1443-80-7

4-cyanophenyl methyl ketone

Conditions
ConditionsYield
Stage #1: zinc(II) cyanide With aluminum oxide; Ni(xantphos)(o-tolyl)Cl for 1h; Schlenk technique; Inert atmosphere; Sealed tube;
Stage #2: para-chloroacetophenone In 1-methyl-pyrrolidin-2-one at 20℃; for 24h; Schlenk technique; Inert atmosphere;		96%
With dmap; 1,1'-bis-(diphenylphosphino)ferrocene; nickel(II) chloride hexahydrate; zinc In acetonitrile at 80℃; for 8h; Schlenk technique; Inert atmosphere; Sealed tube;81%
With dmap; 1,1'-bis-(diphenylphosphino)ferrocene; nickel(II) chloride hexahydrate; zinc In acetonitrile at 80℃; for 8h; Inert atmosphere; Sealed tube;81%
With 1,1'-bis-(diphenylphosphino)ferrocene; palladium 10% on activated carbon; zinc(II) formate dihydrate In N,N-dimethyl acetamide at 120℃; for 12h; Inert atmosphere;70%
4-Cyanophenacyl bromide
20099-89-2

4-Cyanophenacyl bromide

A

4-cyanophenyl methyl ketone
1443-80-7

4-cyanophenyl methyl ketone

B

(±)-4-(2-bromo-1-hydroxyethyl)benzonitrile
85554-13-8

(±)-4-(2-bromo-1-hydroxyethyl)benzonitrile

Conditions
ConditionsYield
With 9,10-dihydro-10-methylacridine; perchloric acid In acetonitrile at 61.9℃; Product distribution; Mechanism;A 95%
B n/a
potassiumhexacyanoferrate(II) trihydrate

potassiumhexacyanoferrate(II) trihydrate

para-chloroacetophenone
99-91-2

para-chloroacetophenone

4-cyanophenyl methyl ketone
1443-80-7

4-cyanophenyl methyl ketone

Conditions
ConditionsYield
With C46H62NO3PPdS(2-); potassium acetate; XPhos In 1,4-dioxane; water at 100℃; for 1h; Inert atmosphere; Sealed tube;95%
With potassium phosphate tribasic trihydrate; C38H28O4P2Pd In N,N-dimethyl-formamide at 130℃; for 16h; Catalytic behavior; Solvent; Reagent/catalyst;93%
With palladium diacetate; sodium carbonate; 1,3-bis[(2,6-diisopropyl)phenyl]imidazolinium chloride In N,N-dimethyl acetamide at 120℃; for 10h;63%
4-cyanophenylacetylene
3032-92-6

4-cyanophenylacetylene

4-cyanophenyl methyl ketone
1443-80-7

4-cyanophenyl methyl ketone

Conditions
ConditionsYield
With tetrakis(p-sulfonatophenyl)porphyrin cobalt(III) trisodium salt hexahydrate; water; bis(trifluoromethanesulfonyl)amide In methanol at 80℃; for 36h; Sealed tube;95%
With chloro(1,3-bis(2,6-di-i-propylphenyl)imidazol-2-ylidene)gold(I) In methanol; water at 120℃; for 6h; Schlenk technique; regioselective reaction;92%
With chloro(1,3-bis(2,6-di-i-propylphenyl)imidazol-2-ylidene)gold(I); water In methanol at 110℃; for 6h;92%
zinc(II) cyanide
557-21-1

zinc(II) cyanide

4-acetylphenyl p-toluenesulfonate
64101-67-3

4-acetylphenyl p-toluenesulfonate

4-cyanophenyl methyl ketone
1443-80-7

4-cyanophenyl methyl ketone

Conditions
ConditionsYield
With dmap; 1,1'-bis-(diphenylphosphino)ferrocene; nickel(II) chloride hexahydrate; zinc In acetonitrile at 80℃; for 12h; Sealed tube;95%
With dmap; nickel(II) bromide dimethoxyethane; 1,4-di(diphenylphosphino)-butane; zinc In acetonitrile at 80℃; for 12h; Inert atmosphere;94%
para-bromoacetophenone
99-90-1

para-bromoacetophenone

formamide
77287-34-4, 77287-35-5, 60100-09-6

formamide

4-cyanophenyl methyl ketone
1443-80-7

4-cyanophenyl methyl ketone

Conditions
ConditionsYield
With 1,3,5-trichloro-2,4,6-triazine; palladium on activated charcoal; potassium carbonate; triphenylphosphine at 25 - 130℃; for 12.1667h;95%
-butyl vinyl ether
111-34-2

-butyl vinyl ether

4-cyanophenyl trifluoromethanesulfonate
66107-32-2

4-cyanophenyl trifluoromethanesulfonate

A

4-cyanophenyl methyl ketone
1443-80-7

4-cyanophenyl methyl ketone

B

(Z)-1-Butoxy-2-(4-cyanophenyl)ethylene
127087-67-6

(Z)-1-Butoxy-2-(4-cyanophenyl)ethylene

C

(E)-1-Butoxy-2-(4-cyanophenyl)ethylene
127087-66-5

(E)-1-Butoxy-2-(4-cyanophenyl)ethylene

Conditions
ConditionsYield
With triethylamine; Pd(Ac2O)2-DPPP In N,N-dimethyl-formamide at 80℃; for 3h; Yields of byproduct given;A 94%
B n/a
C n/a
...Expand
4-Iodoacetophenone
13329-40-3

4-Iodoacetophenone

potassium cyanide
151-50-8

potassium cyanide

4-cyanophenyl methyl ketone
1443-80-7

4-cyanophenyl methyl ketone

Conditions
ConditionsYield
With tris(dibenzylideneacetone)dipalladium(0) chloroform complex; 1,1'-bis-(diphenylphosphino)ferrocene In various solvent(s) at 60℃; for 2h;94%
With copper(l) iodide; tetrakis(triphenylphosphine) palladium(0) In tetrahydrofuran for 1h; Substitution; Heating;
dicyanozinc
557-21-1

dicyanozinc

para-bromoacetophenone
99-90-1

para-bromoacetophenone

4-cyanophenyl methyl ketone
1443-80-7

4-cyanophenyl methyl ketone

Conditions
ConditionsYield
With 1,1'-bis-(diphenylphosphino)ferrocene; polymethylhydrosiloxane; palladium diacetate In water at 80℃; for 1.5h;94%
With tetrakis(triphenylphosphine) palladium(0) In N,N-dimethyl-formamide at 80℃; for 5.5h;91%
With water; tri tert-butylphosphoniumtetrafluoroborate; zinc; tris(dibenzylideneacetone)dipalladium(0) chloroform complex In 1-methyl-pyrrolidin-2-one at 20℃; for 24h;89%
-butyl vinyl ether
111-34-2

-butyl vinyl ether

4-bromobenzenecarbonitrile
623-00-7

4-bromobenzenecarbonitrile

4-cyanophenyl methyl ketone
1443-80-7

4-cyanophenyl methyl ketone

Conditions
ConditionsYield
Stage #1: -butyl vinyl ether; 4-bromobenzenecarbonitrile With palladium diacetate; 1,3-bis-(diphenylphosphino)propane; triethylamine In various solvent(s) at 110℃; for 36h; Heck reaction;
Stage #2: With hydrogenchloride Further stages.;		94%
With 1,3-bis-(diphenylphosphino)propane; diisopropylamine; 1-butyl-3-methylimidazolium Tetrafluoroborate; palladium diacetate In dimethyl sulfoxide at 115℃; for 36h; Heck arylation;88%
Stage #1: -butyl vinyl ether; 4-bromobenzenecarbonitrile With meso-2,4-bis(diphenylphosphino)pentane; triethylamine; palladium diacetate In dimethyl sulfoxide at 115℃; for 36h; Heck arylation;
Stage #2: With hydrogenchloride In dimethyl sulfoxide at 20℃;		86%
4-(1-hydroxyethyl)benzonitrile
101219-69-6, 101219-71-0, 134679-06-4, 52067-35-3

4-(1-hydroxyethyl)benzonitrile

4-cyanophenyl methyl ketone
1443-80-7

4-cyanophenyl methyl ketone

Conditions
ConditionsYield
With oxygen; C26H21BrO In dichloromethane for 12h; Irradiation;94%
With sodium hypochlorite; sodium hydrogencarbonate; potassium bromide In dichloromethane; water at 0℃; for 0.166667h; Schlenk technique;93%
With iodine; potassium carbonate; [bis(pyridine)iodine]+ tetrafluoroborate In acetonitrile at 60℃; for 21h;85%
potassium hexacyanoferrate(III) trihydrate

potassium hexacyanoferrate(III) trihydrate

4-Iodoacetophenone
13329-40-3

4-Iodoacetophenone

4-cyanophenyl methyl ketone
1443-80-7

4-cyanophenyl methyl ketone

Conditions
ConditionsYield
With potassium phosphate In N,N-dimethyl-formamide at 120℃; for 1.5h;94%
4-cyanophenyl methyl ketone
1443-80-7

4-cyanophenyl methyl ketone

4-Cyanophenacyl bromide
20099-89-2

4-Cyanophenacyl bromide

Conditions
ConditionsYield
With bromine100%
With N-Bromosuccinimide; trimethylsilyl trifluoromethanesulfonate In acetonitrile at 25℃; Inert atmosphere;72%
With bromine In chloroform at 20℃; for 20h; Inert atmosphere;71%
4-cyanophenyl methyl ketone
1443-80-7

4-cyanophenyl methyl ketone

4-(1-hydroxyethyl)benzonitrile
101219-69-6, 101219-71-0, 134679-06-4, 52067-35-3

4-(1-hydroxyethyl)benzonitrile

Conditions
ConditionsYield
With methanol; sodium tetrahydroborate In tetrahydrofuran at 0 - 20℃; for 0.666667h;100%
With methanol; sodium tetrahydroborate at 0 - 25℃; for 5h; Inert atmosphere;100%
With C15H13MnN3O3(1+)*Br(1-); potassium tert-butylate; isopropyl alcohol at 70℃; for 24h; Schlenk technique; Inert atmosphere; chemoselective reaction;99%
4-cyanophenyl methyl ketone
1443-80-7

4-cyanophenyl methyl ketone

4-(1,1-difluoroethyl)benzonitrile
55805-05-5

4-(1,1-difluoroethyl)benzonitrile

Conditions
ConditionsYield
With diethylamino-sulfur trifluoride In dichloromethane at 50℃; for 20h;100%
With (bis-(2-methoxyethyl)amino)sulfur trufluoride for 24h;68.6%
With F6Mo; boron trifluoride In dichloromethane at -20 - 20℃;
4-cyanophenyl methyl ketone
1443-80-7

4-cyanophenyl methyl ketone

4,4′-(2,3-dihydroxybutane-2,3-diyl)dibenzonitrile
82491-64-3

4,4′-(2,3-dihydroxybutane-2,3-diyl)dibenzonitrile

Conditions
ConditionsYield
With zinc(II) chloride; zinc In tetrahydrofuran; water for 3h; Ambient temperature;100%
With CdS(x)Se(1-x) x:0-1;; para-thiocresol In hexane for 22h; Inert atmosphere; Irradiation;99%
With CeI2 In tetrahydrofuran 1.) 2 h, 0 deg C, 2.) 12 h, room temp.;91%
With tetrachlorosilane; zinc In dichloromethane at 20℃; for 20h;62%
With ytterbium In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide for 3h; Ambient temperature;58%
4-cyanophenyl methyl ketone
1443-80-7

4-cyanophenyl methyl ketone

ethylene glycol
107-21-1

ethylene glycol

4-(2-methyl-[1,3]dioxolan-2-yl)benzonitrile
14517-91-0

4-(2-methyl-[1,3]dioxolan-2-yl)benzonitrile

Conditions
ConditionsYield
With zeolite HSZ-360 In toluene for 5h; Heating;100%
With ammonium chloride In toluene Reflux; Dean-Stark;94%
With N-Bromosuccinimide; trimethyl orthoformate at 25 - 65℃; for 12h;92%
4-cyanophenyl methyl ketone
1443-80-7

4-cyanophenyl methyl ketone

potassium cyanide
151-50-8

potassium cyanide

ammonium carbonate
506-87-6

ammonium carbonate

4-(R,S)-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidine
169808-00-8

4-(R,S)-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidine

Conditions
ConditionsYield
In ethanol at 60℃; for 72h;100%
...Expand
4-cyanophenyl methyl ketone
1443-80-7

4-cyanophenyl methyl ketone

4-oxoacetyl-benzonitrile hydrate
19010-28-7

4-oxoacetyl-benzonitrile hydrate

Conditions
ConditionsYield
With selenium(IV) oxide; water In 1,4-dioxane for 72h; Inert atmosphere; Reflux;100%
With selenium(IV) oxide; water In 1,4-dioxane at 50 - 55℃; Reflux; Inert atmosphere; Schlenk technique;
4,7-dichloroisatin
18711-13-2

4,7-dichloroisatin

4-cyanophenyl methyl ketone
1443-80-7

4-cyanophenyl methyl ketone

4-(2-(4,7-dichloro-3-hydroxy-2-oxoindolin-3-yl)acetyl)benzonitrile
1467720-52-0

4-(2-(4,7-dichloro-3-hydroxy-2-oxoindolin-3-yl)acetyl)benzonitrile

Conditions
ConditionsYield
With diethylamine In methanol at 20℃;100%
With diethylamine In methanol at 20℃;100%
With diethylamine In methanol at 20℃;64%
4-cyanophenyl methyl ketone
1443-80-7

4-cyanophenyl methyl ketone

methyltrichlorotitanium
2747-38-8

methyltrichlorotitanium

4-(2-hydroxypropan-2-yl)benzenecarbonitrile
77802-22-3

4-(2-hydroxypropan-2-yl)benzenecarbonitrile

Conditions
ConditionsYield
at -5 - -4℃; for 1h; Solvent; Temperature; Large scale;99.7%
4-cyanophenyl methyl ketone
1443-80-7

4-cyanophenyl methyl ketone

4-acetyl-benzoic acid
586-89-0

4-acetyl-benzoic acid

Conditions
ConditionsYield
With phosphate buffer at 30℃; for 24h; rhodococcus rhodocrous AJ270, pH 7.0;99%
With potassium phosphate buffer at 30℃; for 24h; Rhodococcus sp. AJ270 cells;99.3%
With sulfuric acid
4-cyanophenyl methyl ketone
1443-80-7

4-cyanophenyl methyl ketone

(S)-4-(1-hydroxyethyl)benzonitrile
101219-71-0

(S)-4-(1-hydroxyethyl)benzonitrile

Conditions
ConditionsYield
With (R)-2,2',6,6'-tetramethoxy-4,4'-bis(di-3,5-dimethylphenylphosphine)3,3'-bipyridine; phenylsilane; cobalt(II) diacetate tetrahydrate In toluene at 40℃; for 36h; Molecular sieve; Under air; optical yield given as %ee; enantioselective reaction;99%
With triiron dodecarbonyl; C52H58N4P2; hydrogen; potassium hydroxide In methanol at 45℃; under 37503.8 Torr; for 10h; enantioselective reaction;98%
Stage #1: 4-cyanophenyl methyl ketone With dimethylsulfide borane complex; (3aR)-1-methyl-3,3-diphenyl-tetrahydro-pyrrolo[1,2-c][1,3,2]oxazaborole In tetrahydrofuran; toluene at -20 - -12.8℃; for 3.33333h; Industry scale;
Stage #2: With methanol In tetrahydrofuran; toluene at -1.5℃; for 0.55h;		95%
4-cyanophenyl methyl ketone
1443-80-7

4-cyanophenyl methyl ketone

1-(4-(1-H-tetrazol-5-yl) phenyl) ethanone
552846-23-8

1-(4-(1-H-tetrazol-5-yl) phenyl) ethanone

Conditions
ConditionsYield
With trimethylsilylazide; dibutyltin diacetate In benzene at 30℃; for 60h;99%
With trimethylsilylazide; di(n-butyl)tin oxide In toluene at 90 - 120℃;99%
With sodium azide; C32H25ClCuN6O9 In dimethyl sulfoxide at 110℃; for 5h; Reagent/catalyst;98%
m-bromobenzoic aldehyde
3132-99-8

m-bromobenzoic aldehyde

4-cyanophenyl methyl ketone
1443-80-7

4-cyanophenyl methyl ketone

4-[3-(3-bromophenyl)-1-oxo-2-propenyl]benzonitrile
1028801-04-8

4-[3-(3-bromophenyl)-1-oxo-2-propenyl]benzonitrile

Conditions
ConditionsYield
With sodium hydroxide In methanol at 0 - 20℃; for 4h; Claisen-Schmidt condensation;99%
4-cyanophenyl methyl ketone
1443-80-7

4-cyanophenyl methyl ketone

diphenylsilane
775-12-2

diphenylsilane

4-(1-((diphenylsilyl)oxy)ethyl)benzonitrile
1265032-61-8

4-(1-((diphenylsilyl)oxy)ethyl)benzonitrile

Conditions
ConditionsYield
With C84H110N10Zn2 In neat (no solvent) at 20℃; for 12h; Sealed tube; Inert atmosphere; Schlenk technique; Glovebox;99%
With iron(II) bis(trimethylsilyl)amide In benzene-d6 at 23℃; for 17h; Inert atmosphere;
trimethylsilyl cyanide
7677-24-9

trimethylsilyl cyanide

4-cyanophenyl methyl ketone
1443-80-7

4-cyanophenyl methyl ketone

C13H16N2OSi
69813-81-6

C13H16N2OSi

Conditions
ConditionsYield
With C42H50Mg2N4 In benzene-d6 at 60℃; for 5h; Glovebox; Inert atmosphere;99%
With C32H39Br2MgN2(1-)*C16H32LiO4(1+) In chloroform-d1 at 20℃; for 48h; Inert atmosphere; Glovebox; chemoselective reaction;73%
With TBA8H2[(γ-SiYW10O36)2]*7H2O In 1,2-dichloro-ethane at 30℃; under 760.051 Torr; for 1h; Air atmosphere;90 %Chromat.
With zinc(II) iodide In dichloromethane for 2h;
diethyl cyanophosphonate
2942-58-7

diethyl cyanophosphonate

4-cyanophenyl methyl ketone
1443-80-7

4-cyanophenyl methyl ketone

lithium cyanide
2408-36-8

lithium cyanide

1-cyano-1-(4-cyanophenyl)ethyl diethylphosphate

1-cyano-1-(4-cyanophenyl)ethyl diethylphosphate

Conditions
ConditionsYield
In tetrahydrofuran at 20℃; for 0.0833333h;99%
...Expand
4-cyanophenyl methyl ketone
1443-80-7

4-cyanophenyl methyl ketone

4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane
25015-63-8

4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane

4-(1-((4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy)ethyl)benzonitrile

4-(1-((4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy)ethyl)benzonitrile

Conditions
ConditionsYield
With C84H110N10Zn2 In neat (no solvent) at 20℃; for 6h; Sealed tube; Inert atmosphere; Schlenk technique; Glovebox;99%
With C14H24N4Si(1+)*I(1-) In benzene-d6 at 90℃; for 1h; Catalytic behavior; Inert atmosphere; Schlenk technique; regioselective reaction;90%
With C24H45MgNO2Si at 20℃; for 4h; Schlenk technique; Glovebox; Inert atmosphere;99 %Spectr.
4-cyanophenyl methyl ketone
1443-80-7

4-cyanophenyl methyl ketone

ketene t-butyldimethylsilyl methyl acetal
77086-38-5

ketene t-butyldimethylsilyl methyl acetal

methyl 3-((tert-butyldimethylsilyl)oxy)-3-(4-cyanophenyl)butanoate

methyl 3-((tert-butyldimethylsilyl)oxy)-3-(4-cyanophenyl)butanoate

Conditions
ConditionsYield
Stage #1: 4-cyanophenyl methyl ketone 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%
4-cyanophenyl methyl ketone
1443-80-7

4-cyanophenyl methyl ketone

diphenyl hydrogen phosphite
4712-55-4

diphenyl hydrogen phosphite

diphenyl (S)-(1-hydroxy-1-(4-cyanophenyl)ethyl)phosphonate

diphenyl (S)-(1-hydroxy-1-(4-cyanophenyl)ethyl)phosphonate

Conditions
ConditionsYield
With C39H50N6O In toluene at -60℃; for 68h; enantioselective reaction;99%
4-cyanophenyl methyl ketone
1443-80-7

4-cyanophenyl methyl ketone

1-chloro-3,5-dimethoxybenzene
7051-16-3

1-chloro-3,5-dimethoxybenzene

C17H15NO3

C17H15NO3

Conditions
ConditionsYield
With C56H48ClN3Pd; sodium t-butanolate In 1,4-dioxane at 100℃; for 4h; Reagent/catalyst;99%
4-cyanophenyl methyl ketone
1443-80-7

4-cyanophenyl methyl ketone

4-acetylbenzamide
67014-02-2

4-acetylbenzamide

Conditions
ConditionsYield
With 4-(benzyloxy)-1-hydroxy-2,2,6,6-tetramethylpiperidine In dichloromethane at 50℃; for 65h;98%
With [2,2]bipyridinyl; water; palladium diacetate at 70℃; for 24h; Schlenk technique; Sealed tube;98%
With water at 140℃; for 1h; Inert atmosphere;97%
4-cyanophenyl methyl ketone
1443-80-7

4-cyanophenyl methyl ketone

benzaldehyde
100-52-7

benzaldehyde

4-(1-oxo-3-phenyl-2-propen-1-yl)benzonitrile
31083-73-5

4-(1-oxo-3-phenyl-2-propen-1-yl)benzonitrile

Conditions
ConditionsYield
With Co(II)-VP-St (crosslinked 4-vinylpyridine-styrene copolimer); N,N-dimethyl-formamide at 80℃; for 18h;98%
With sodium hydroxide In ethanol; water at 20℃;50%
With potassium hydroxide In water at 20℃; Claisen-Schmidt Condensation;23%

4'-Cyanoacetophenone Chemical Properties

IUPAC Name: 4-Acetylbenzonitrile
Synonyms of Benzonitrile, 4-acetyl- (CAS NO.1443-80-7): 4-Acetylbenzonitrile ; EINECS 215-885-0 ; 4'-Cyanoacetophenone
CAS NO: 1443-80-7
Molecular Formula: C9H7NO
Molecular Weight: 145.158
Molecular Structure:

Melting Point: 56-59 °C
Product Categories: Aromatic Nitriles ; Benzonitriles (Building Blocks for Liquid Crystals) ; Building Blocks for Liquid Crystals ; Functional Materials 
Polar Surface Area: 40.86 Å2
Index of Refraction: 1.539
Molar Refractivity: 40.69 cm3
Molar Volume: 129.8 cm3
Surface Tension: 45 dyne/cm
Density of Benzonitrile, 4-acetyl- (CAS NO.1443-80-7): 1.11 g/cm3
Flash Point: 131.2 °C
Enthalpy of Vaporization: 53.28 kJ/mol
Boiling Point: 293.3 °C at 760 mmHg
Vapour Pressure: 0.00174 mmHg at 25°C

4'-Cyanoacetophenone Safety Profile

Hazard Codes of Benzonitrile, 4-acetyl- (CAS NO.1443-80-7): HarmfulXn,Xi
Risk Statements: 36/37/38-20/21/22 
R36/37/38: Irritating to eyes, respiratory system and skin. 
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 36/37/39-26-22 
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S22: Do not breathe dust.
RIDADR: 3276
WGK Germany: 3
Hazard Note: Harmful/Irritant
HazardClass: 6.1
PackingGroup: III

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