2-Phenylpropionitrile supplier

Name
ALPHA-METHYLPHENYLACETONITRILE
EINECS 217-354-9
CAS No. 1823-91-2
Article Data228
CAS DataBase
Density 0.987 g/cm³
Solubility
Melting Point 210 °C(Solv: ethyl ether (60-29-7); chloroform (67-66-3))
Formula C₉H₉N
Boiling Point 231 °C at 760 mmHg
Molecular Weight 131.177
Flash Point 93.9 °C
Transport Information UN 3276 6.1/PG 3
Appearance clear very slightly yellow liquid
Safety 26-27-37/39
Risk Codes 20/21/22-36/37/38
Molecular Structure
Hazard Symbols Xn, Xi
Synonyms Hydratroponitrile(6CI,7CI,8CI);NSC 11264;NSC 37485;dl-2-Phenylpropionitrile;dl-a-Phenylethyl isocyanide;a-Cyanoethylbenzene;a-Methylbenzeneacetonitrile;a-Methylbenzyl cyanide;a-Methylphenylacetonitrile;a-Phenylethyl cyanide;a-Phenylpropionitrile;
PSA 23.79000
LogP 2.31368

Synthetic route

: Phenyl[2-(trimethylsilyl)phenyl]iodonium trifluoromethanesulfonate

: 107-12-0
propiononitrile

: 1823-91-2
1-phenylethyl cyanide

Conditions

Conditions	Yield
Stage #1: propiononitrile With n-butyllithium In tetrahydrofuran at -78℃; for 0.25h; Stage #2: Phenyl[2-(trimethylsilyl)phenyl]iodonium trifluoromethanesulfonate With tetrabutyl ammonium fluoride In tetrahydrofuran at 0 - 20℃; for 0.916667h;	99%

: 59647-78-8
2-phenylpropanal oxime

: 1823-91-2
1-phenylethyl cyanide

Conditions

Conditions	Yield
With copper diacetate In acetonitrile for 3h; Reflux;	98%
With pyridine; titanium tetrachloride at 40℃; Sealed tube;	93%
With acetyl chloride; zinc(II) oxide for 0.5h; Heating;	90%

: 34713-70-7
2-Phenylpropanal

: 1823-91-2
1-phenylethyl cyanide

Conditions

Conditions	Yield
With trifluorormethanesulfonic acid; O-benzenesulfonyl-acetohydroxamic acid ethyl ester In dichloromethane at 23℃; for 24h; Inert atmosphere;	98%
With pyridine; hydroxylamine hydrochloride; titanium tetrachloride at 40℃; Sealed tube;	97%
With aluminum oxide; hydroxylamine hydrochloride; methanesulfonyl chloride at 100℃; for 0.5h;	95%

: C16H15NO2

: 1823-91-2
1-phenylethyl cyanide

Conditions

Conditions	Yield
With iron(III) chloride; 2,6-di-tert-butyl-4-methyl-phenol In toluene at 20℃; for 0.0833333h; Schlenk technique;	97%

: 10442-39-4
tetra-n-butylammonium cyanide

: 105966-39-0
2-(1-phenylethoxy)-tetrahydro-2H-pyran

: 1823-91-2
1-phenylethyl cyanide

Conditions

Conditions	Yield
With triphenylphosphine; 2,3-dicyano-5,6-dichloro-p-benzoquinone In acetonitrile for 6h; Heating;	94%

: 69573-35-9
2-chloro-2-phenylpropanenitrile

: 1823-91-2
1-phenylethyl cyanide

Conditions

Conditions	Yield
With sodium hydrogen telluride; acetic acid In ethanol; benzene at -20℃; for 0.333333h;	93%

: 1125-70-8
2-phenylpropanamide

: 1823-91-2
1-phenylethyl cyanide

Conditions

Conditions	Yield
With aluminium trichloride; potassium iodide In water; acetonitrile at 80℃; for 10h;	92%
With phosgene In tetrahydrofuran; toluene at 25℃; for 4h; Inert atmosphere;	82%
With phosphorus pentoxide; benzene
With phosphorus pentachloride

: 140-29-4
phenylacetonitrile

: 74-88-4
methyl iodide

A: 1195-98-8
2-methyl-2-phenylpropionitrile

B: 1823-91-2
1-phenylethyl cyanide

Conditions

Conditions	Yield
With sodium hydroxide; tetrakis(hexylsulfinylmethyl)methane for 28h; Ambient temperature;	A 5% B 92%
With sodium hydroxide; C(CH2S(=O)C6H13)4 for 28h; Ambient temperature;	A 5% B 92%
With sodium hydroxide; sulfur dioxide for 24h; Product distribution; Ambient temperature; liquid-liquid two phase alkylation, other alkyl iodides, other sulfoxides containing pyridine nuklei as cat.;	A n/a B 83 % Chromat.

...Expand

: 127462-20-8, 25438-38-4
2-phenyl-2-trimethylsilyloxypropanenitrile

: 1823-91-2
1-phenylethyl cyanide

Conditions

Conditions	Yield
With chloro-trimethyl-silane; water; sodium iodide In acetonitrile at 20℃; for 48h; Reduction;	92%
With chloro-trimethyl-silane; water; acetonitrile; sodium iodide In hexane for 24h; Ambient temperature;	74%

: 292638-84-7
styrene

: potassium cyanide

: 1823-91-2
1-phenylethyl cyanide

Conditions

Conditions	Yield
Stage #1: potassium cyanide With acetic acid In ethylene glycol at 60℃; Sealed tube; Stage #2: styrene With bis(1,5-cyclooctadiene)nickel (0); 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene at 60℃; for 18h; Sealed tube;	92%

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

: 10442-39-4
tetra-n-butylammonium cyanide

: 1823-91-2
1-phenylethyl cyanide

Conditions

Conditions	Yield
With triphenylphosphine; 2,3-dicyano-5,6-dichloro-p-benzoquinone In acetonitrile at 20℃;	91%

: 140-29-4
phenylacetonitrile

: 616-38-6
carbonic acid dimethyl ester

: 1823-91-2
1-phenylethyl cyanide

Conditions

Conditions	Yield
With potassium carbonate at 180℃; for 3.75h;	90%
With sodium methylate at 180℃; under 15001.5 Torr; for 5h; Reagent/catalyst; Temperature;	88.2%
aluminum oxide; Corundum(Al2O3) + 5wtpercent K2CO3 + 5wtpercent polyethyleneglycol (mol. weight 6000); potassium carbonate at 180℃; liquid flow rate 16 ml/h;	88 % Chromat.

: 7677-24-9
trimethylsilyl cyanide

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

: 1823-91-2
1-phenylethyl cyanide

Conditions

Conditions	Yield
With tris(pentafluorophenyl)borate In acetonitrile at 20℃; for 1h;	90%
With zinc trifluoromethanesulfonate In nitromethane at 100℃; for 8h;	43%

: 59647-78-8
2-phenylpropanal oxime

: 1147550-11-5
ammonium thiocyanate

: 1823-91-2
1-phenylethyl cyanide

Conditions

Conditions	Yield
With fluorescein sodium salt In acetonitrile at 20℃; for 10h; Irradiation;	90%

: 292638-84-7
styrene

: 23741-79-9
Isopropylmalonsauredinitril

: 1823-91-2
1-phenylethyl cyanide

Conditions

Conditions	Yield
With bis(1,5-cyclooctadiene)nickel (0); 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene In toluene at 120℃; for 24h; Inert atmosphere; Glovebox; Sealed tube; regioselective reaction;	90%

: 292638-84-7
styrene

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

: 1823-91-2
1-phenylethyl cyanide

Conditions

Conditions	Yield
With 3-[bis-(4-methoxy-phenyl)-phosphanyl]-2H-isoquinolin-1-one; N-{6-[bis-(4-methoxy-phenyl)-phosphanyl]-pyridin-2-yl}-2,2-dimethyl-propionamide; bis(1,5-cyclooctadiene)nickel (0) In toluene at 35℃; for 25h; regioselective reaction;	89%
With bis(1,5-cyclooctadiene)nickel (0); (S)-binaphthyl chiral diphosphite In toluene at 20℃; for 24h; asymmetric hydrocyanation;

: 1617-17-0
2-chlorpropionitrile

: 368-47-8
phenyltrifluorosilane

: 1823-91-2
1-phenylethyl cyanide

Conditions

Conditions	Yield
With (1,2-dimethoxyethane)dichloronickel(II); (1S,2R)-(+)-norphedrine; lithium hexamethyldisilazane; water; cesium fluoride In N,N-dimethyl acetamide at 60℃; for 16h; Hiyama cross-coupling;	88%

: 31600-55-2
benzyl methoxymethyl ether

: 94073-86-6
(1-methoxymethoxy)ethylbenzene

: 10442-39-4
tetra-n-butylammonium cyanide

A: 140-29-4
phenylacetonitrile

B: 1823-91-2
1-phenylethyl cyanide

Conditions

Conditions	Yield
With 1-(n-butyl)-3-methylimidazolium tetrachloroindate at 135 - 140℃; for 0.075h; Microwave irradiation; Neat (no solvent); chemoselective reaction;	A 88% B 19%

...Expand

: 492-37-5, 2328-24-7
hydratropic acid

: 1823-91-2
1-phenylethyl cyanide

Conditions

Conditions	Yield
With sodium azide; triethylamine; triphenylphosphine; (bis-(2-methoxyethyl)amino)sulfur trufluoride In dichloromethane; dimethyl sulfoxide at 0 - 20℃; for 0.833333h;	87%
With sodium azide; TEA; triethylphosphine; (bis-(2-methoxyethyl)amino)sulfur trufluoride In dichloromethane; dimethyl sulfoxide at 0℃; for 30h;	85%
Multi-step reaction with 3 steps 1: thionyl chloride / 0.5 h / 25 °C / Inert atmosphere 2: ammonia / water / 0.5 h / 25 °C 3: phosgene / toluene; tetrahydrofuran / 4 h / 25 °C / Inert atmosphere View Scheme

: 50-00-0
formaldehyd

: 140-29-4
phenylacetonitrile

: 1823-91-2
1-phenylethyl cyanide

Conditions

Conditions	Yield
With carbon monoxide; hydrogen; dodecacarbonyl-triangulo-triruthenium In N,N-dimethyl-formamide at 230℃; under 76000.1 Torr; for 16h; other active methylene compounds, other aldehydes;	86%
With carbon monoxide; hydrogen; dodecacarbonyl-triangulo-triruthenium In N,N-dimethyl-formamide at 230℃; under 76000.1 Torr; for 16h;	86%

: 108-86-1
bromobenzene

: 1266802-94-1
potassium 2-cyanopropanoate

: 1823-91-2
1-phenylethyl cyanide

Conditions

Conditions	Yield
With bis(η3-allyl-μ-chloropalladium(II)); 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene In 1,3,5-trimethyl-benzene at 20 - 140℃; for 10.1667h; Inert atmosphere; Sealed tube; chemoselective reaction;	86%

: 67-56-1
methanol

: 140-29-4
phenylacetonitrile

: 1823-91-2
1-phenylethyl cyanide

Conditions

Conditions	Yield
With cobalt(II) tetrafluoroborate hexahydrate; tris(2-diphenylphosphinoethyl)phosphine; potassium carbonate at 100℃; for 24h; Autoclave; Glovebox; Inert atmosphere;	85%
With [carbonylchlorohydrido{bis[2-(diphenylphosphinomethyl)ethyl]amino}ethylamino] ruthenium(II); potassium tert-butylate In toluene at 135℃; for 4h; Inert atmosphere;	83%
With bis(1,5-cyclooctadiene)diiridium(I) dichloride; potassium tert-butylate; 1,2-bis-(diphenylphosphino)ethane at 150℃; for 48h; Inert atmosphere;	80%

: 672-65-1
(1-chloroethyl)benzene

: 1823-91-2
1-phenylethyl cyanide

Conditions

Conditions	Yield
With sodium cyanide; N-benzyl-N,N,N-triethylammonium chloride In acetonitrile at 35℃; for 45h;	83%

: 124-38-9
carbon dioxide

: 140-29-4
phenylacetonitrile

: 1823-91-2
1-phenylethyl cyanide

Conditions

Conditions	Yield
With trimethylamine-borane; 1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine; potassium tert-butylate In 1,2-dimethoxyethane at 120℃; for 16h; Sealed tube;	83%

: 140-29-4
phenylacetonitrile

: 77-78-1
dimethyl sulfate

: 1823-91-2
1-phenylethyl cyanide

Conditions

Conditions	Yield
With (3S,4S)-1-benzyl-3,4-pyrrolidin-diol-onium iodide; potassium carbonate In N,N-dimethyl-formamide for 12h; Ambient temperature;	82%

: 2,4-dimethyl-2-phenylpentanedinitrile

: 1823-91-2
1-phenylethyl cyanide

Conditions

Conditions	Yield
IrH5(P-(i-Pr)3)2 In toluene at 150℃; for 12h;	82%

: 292638-84-7
styrene

: 100-47-0
benzonitrile

A: 588-59-0
stilbene

B: 645-59-0
dihydrocinnamonitrile

C: 1823-91-2
1-phenylethyl cyanide

Conditions

Conditions	Yield
With tris-(dibenzylideneacetone)dipalladium(0); dimethylaluminum chloride; CyJohnPhos In hexane; toluene at 100℃; for 16h; Inert atmosphere; Glovebox; regioselective reaction;	A 82% B 57 %Chromat. C 13 %Chromat.

...Expand

: 292638-84-7
styrene

: 1-isopropylcyclohexa-2,5-diene-1-carbonitrile

: 1823-91-2
1-phenylethyl cyanide

Conditions

Conditions	Yield
With bis(1,5-cyclooctadiene)nickel (0); 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene In benzene at 90℃; for 18h; Catalytic behavior; Reagent/catalyst; Solvent; Temperature; Schlenk technique; Inert atmosphere; Glovebox; regioselective reaction;	82%

: 292638-84-7
styrene

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

: 1823-91-2
1-phenylethyl cyanide

Conditions

Conditions	Yield
With bis(acetylacetonate)nickel(II); 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; zinc at 150℃; for 24h; Reagent/catalyst; Sealed tube;	81%
With bis(acetylacetonate)nickel(II); 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; zinc for 24h; Mechanism; Reagent/catalyst; Inert atmosphere; Sealed tube; Heating; Green chemistry; regioselective reaction;	78%

: 591-87-7
Allyl acetate

: 1823-91-2
1-phenylethyl cyanide

: 104367-49-9
2-methyl-2-phenyl-4-pentenenitrile

Conditions

Conditions	Yield
With potassium hydroxide; Pd(PhCH=CH)2CO>2CO; 1,2-bis-(diphenylphosphino)ethane In dichloromethane Ambient temperature;	100%

: 66003-76-7
Diphenyliodonium triflate

: 1823-91-2
1-phenylethyl cyanide

: 19341-03-8
N-phenyl-2-phenylpropanamide

Conditions

Conditions	Yield
With copper (I) trifluoromethane sulfonate toluene complex; caesium carbonate In toluene at 80℃; for 0.333333h; Catalytic behavior; Mechanism; Solvent; Reagent/catalyst; Temperature;	100%

: 106-95-6
allyl bromide

: 1823-91-2
1-phenylethyl cyanide

: 104367-49-9
2-methyl-2-phenyl-4-pentenenitrile

Conditions

Conditions	Yield
With sodium hexamethyldisilazane In tetrahydrofuran; dimethyl sulfoxide for 0.666667h;	99.5%
Stage #1: 1-phenylethyl cyanide With lithium hexamethyldisilazane In tetrahydrofuran at -78℃; Stage #2: allyl bromide In tetrahydrofuran at -78 - 20℃;
Stage #1: 1-phenylethyl cyanide With n-butyllithium; diisopropylamine In tetrahydrofuran; hexane at 0℃; for 0.5h; Stage #2: allyl bromide In tetrahydrofuran; hexane at 0 - 20℃;

: 1823-91-2
1-phenylethyl cyanide

: 492-37-5, 2328-24-7
hydratropic acid

Conditions

Conditions	Yield
With recombinant nitrilase from Pseudomonas fluorescens EBC 191 In methanol; phosphate buffer at 25℃; pH=6;	99%
With water; sodium hydroxide at 120℃; for 6h; Temperature;	97%
Stage #1: 1-phenylethyl cyanide With sodium hydroxide at 105℃; for 12.5h; Reflux; Stage #2: With sulfuric acid for 0.583333h; pH=3; Temperature; pH-value;	93%

: 1823-91-2
1-phenylethyl cyanide

: 1125-70-8
2-phenylpropanamide

Conditions

Conditions	Yield
With dichloro( 1,5-cyclooctadiene)platinum(ll); 4,5-dihydro-3H-dinaphtho[2,1-c:1',2'-e]phosphepine-4-oxide; water; silver nitrate In tert-Amyl alcohol at 80℃; for 1h; Catalytic behavior; Reagent/catalyst; Time; chemoselective reaction;	99%
With [RuH(tBu-PNP(-))(CO)]; water In tert-butyl alcohol at 20℃; for 24h;	99%
With sodium hydroxide; dihydrogen peroxide In methanol; water for 2h; pH=8.0;	95%

: 64-17-5
ethanol

: 1823-91-2
1-phenylethyl cyanide

: 94521-90-1
ethyl 2-methyl-2-phenylacetoimidate hydrochloride

Conditions

Conditions	Yield
With hydrogenchloride at 0 - 5℃; Addition;	99%
With hydrogenchloride In diethyl ether at 20℃;	84%

: 3296-06-8
1-azido-3-chlorobenzene

: 77-78-1
dimethyl sulfate

: 1823-91-2
1-phenylethyl cyanide

: C16H15ClN4

Conditions

Conditions	Yield
Stage #1: 1-phenylethyl cyanide With lithium diisopropyl amide In tetrahydrofuran at -78℃; for 0.333333h; Stage #2: 1-azido-3-chlorobenzene With N,N,N,N,N,N-hexamethylphosphoric triamide In tetrahydrofuran at -78 - 20℃; for 1h; Stage #3: dimethyl sulfate at 20℃; for 1h;	99%

...Expand

: 3866-16-8
3-methoxyphenyl azide

: 77-78-1
dimethyl sulfate

: 1823-91-2
1-phenylethyl cyanide

: C16H16N4

Conditions

Conditions	Yield
Stage #1: 1-phenylethyl cyanide With lithium diisopropyl amide In tetrahydrofuran at -78℃; for 0.333333h; Stage #2: 3-methoxyphenyl azide With N,N,N,N,N,N-hexamethylphosphoric triamide In tetrahydrofuran at -78 - 20℃; for 1h; Stage #3: dimethyl sulfate at -78℃; for 1h;	99%

...Expand

: 1823-91-2
1-phenylethyl cyanide

: 582-22-9
2-phenylpropylamine

Conditions

Conditions	Yield
With samarium diiodide; water; triethylamine In tetrahydrofuran at 20℃; for 0.0833333h; Inert atmosphere;	98%
With hydrogenchloride; ethanol; palladium Hydrogenation;
With ethanol; ammonia; nickel Hydrogenation;
With lithium aluminium tetrahydride In diethyl ether
Multi-step reaction with 2 steps 1: woollins’ reagent / toluene / 6 h / Inert atmosphere; Reflux 2: water; samarium diiodide / tetrahydrofuran / 20 °C / Inert atmosphere View Scheme

: 1823-91-2
1-phenylethyl cyanide

: 74-88-4
methyl iodide

: 1195-98-8
2-methyl-2-phenylpropionitrile

Conditions

Conditions	Yield
With ammonia; sodium amide at -70℃; for 0.0333333h;	98%

: 100-39-0
benzyl bromide

: 1823-91-2
1-phenylethyl cyanide

: 5558-92-9
α-benzyl-α-methylphenylacetonitrile

Conditions

Conditions	Yield
Stage #1: 1-phenylethyl cyanide With n-butyllithium; diisopropylamine In tetrahydrofuran; hexane at 0℃; for 0.5h; Stage #2: benzyl bromide In tetrahydrofuran; hexane at 0 - 20℃;	98%
Stage #1: 1-phenylethyl cyanide With lithium diisopropyl amide In tetrahydrofuran at -78℃; for 0.666667h; Stage #2: benzyl bromide In tetrahydrofuran at -78 - 20℃; for 6h;

: 1823-91-2
1-phenylethyl cyanide

: 16428-57-2
2-deuterio-2-phenyl-propionitrile

Conditions

Conditions	Yield
With water-d2; triethylamine at 20℃; for 72h; Inert atmosphere;	98%

: 64-67-5
diethyl sulfate

: 3866-16-8
3-methoxyphenyl azide

: 1823-91-2
1-phenylethyl cyanide

: C17H18N4

Conditions

Conditions	Yield
Stage #1: 1-phenylethyl cyanide With lithium diisopropyl amide In tetrahydrofuran at -78℃; for 0.333333h; Stage #2: 3-methoxyphenyl azide With N,N,N,N,N,N-hexamethylphosphoric triamide In tetrahydrofuran at -78 - 20℃; for 1h; Stage #3: diethyl sulfate at 20℃; for 1h;	97%

...Expand

: 1823-91-2
1-phenylethyl cyanide

: 2-phenylpropanimidamide

Conditions

Conditions	Yield
With trimethylaluminum; ammonium chloride In toluene at 20 - 80℃; for 17h;	95%
With trimethylaluminum; ammonium chloride In toluene at 80℃; for 48h;	92%

: 13154-24-0
triisopropylsilyl chloride

: 1823-91-2
1-phenylethyl cyanide

: 1,1,1-triisopropyl-N-(2-phenylprop-1-en-1-ylidene)silanamine

Conditions

Conditions	Yield
Stage #1: 1-phenylethyl cyanide With n-butyllithium; diisopropylamine In tetrahydrofuran; hexane at -78℃; for 0.0833333h; Inert atmosphere; Stage #2: triisopropylsilyl chloride In tetrahydrofuran; hexane at -78 - 20℃; for 12h; Inert atmosphere;	95%

: 107-13-1
acrylonitrile

: 1823-91-2
1-phenylethyl cyanide

: 14149-35-0
(+/-)-3-Methyl-3-phenyl-2,6-piperidinedione

Conditions

Conditions	Yield
With IrH5(P-(i-Pr)3)2; water In tetrahydrofuran at 150℃; for 20h;	94%

: 3296-05-7
1-azido-4-chlorobenzene

: 77-78-1
dimethyl sulfate

: 1823-91-2
1-phenylethyl cyanide

: C16H15ClN4

Conditions

Conditions	Yield
Stage #1: 1-phenylethyl cyanide With lithium diisopropyl amide In tetrahydrofuran at -78℃; for 0.333333h; Stage #2: 1-azido-4-chlorobenzene With N,N,N,N,N,N-hexamethylphosphoric triamide In tetrahydrofuran at -78 - 20℃; for 1h; Stage #3: dimethyl sulfate at 20℃; for 1h;	94%

...Expand

: 2101-88-4
1-azido-4-bromobenzene

: 77-78-1
dimethyl sulfate

: 1823-91-2
1-phenylethyl cyanide

: C16H15BrN4

Conditions

Conditions	Yield
Stage #1: 1-phenylethyl cyanide With lithium diisopropyl amide In tetrahydrofuran at -78℃; for 0.333333h; Stage #2: 1-azido-4-bromobenzene With N,N,N,N,N,N-hexamethylphosphoric triamide In tetrahydrofuran at -78 - 20℃; for 1h; Stage #3: dimethyl sulfate at 20℃; for 1h;	94%

...Expand

: 3376-23-6, 7372-59-0, 59862-60-1
C-phenyl-N-methylnitrone

: 79271-56-0
Triethylsilyl trifluoromethanesulfonate

: 1823-91-2
1-phenylethyl cyanide

: 2-methyl-3-{methyl[(triethylsilyl)oxy]amino}-2,3-diphenylpropanenitrile

Conditions

Conditions	Yield
With triethylamine In 1,2-dichloro-ethane at -30℃; for 0.5h; Inert atmosphere;	94%

...Expand

: 1823-91-2
1-phenylethyl cyanide

: 513-42-8
3-hydroxy-2-methyl-1-propene

: 1199790-77-6
2,4-dimethyl-2-phenyl-4-pentenenitrile

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0); carbon dioxide In dimethyl sulfoxide at 90℃; under 760.051 Torr; for 14h; Sealed tube;	94%

: 2,2-dimethylpropanoic acid 2-naphthalenylmethyl ester

: 1823-91-2
1-phenylethyl cyanide

: 1352055-05-0
2-methyl-3-(naphthalen-2-yl)-2-phenylpropanenitrile

Conditions

Conditions	Yield
With bis(1,5-cyclooctadiene)nickel(0); 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; lithium tert-butoxide In toluene at 100℃; for 12h;	94%

: 611-94-9
4-Methoxybenzophenone

: 1823-91-2
1-phenylethyl cyanide

: 33092-22-7
2-(4-benzoylphenyl)-2-phenylpropanenitrile

Conditions

Conditions	Yield
With phosphazene base-P4-tert-butyl In tetrahydrofuran; hexane at 60℃; for 18h; Catalytic behavior; Reagent/catalyst; Solvent; Temperature; Inert atmosphere; Molecular sieve; Sealed tube;	93%

2-Phenylpropionitrile Specification

The Benzeneacetonitrile, α-methyl-, with the CAS registry number 1823-91-2, is also known as alpha-Methylbenzyl cyanide. Its EINECS registry number is 217-354-9. This chemical's molecular formula is C₉H₉N and molecular weight is 131.17. Its IUPAC name is called 2-phenylpropanenitrile. The product should be sealed and stored in cool, dry place. What's more, it should be protected from strong oxides.

Physical properties of Benzeneacetonitrile, α-methyl-: (1)ACD/LogP: 1.80; (2)ACD/LogD (pH 5.5): 1.8; (3)ACD/LogD (pH 7.4): 1.8; (4)ACD/BCF (pH 5.5): 13.65; (5)ACD/BCF (pH 7.4): 13.65; (6)ACD/KOC (pH 5.5): 226.06; (7)ACD/KOC (pH 7.4): 226.06; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.519; (11)Molar Refractivity: 40.35 cm³; (12)Molar Volume: 132.8 cm³; (13)Surface Tension: 38.3 dyne/cm; (14)Density: 0.987 g/cm³; (15)Flash Point: 93.9 °C; (16)Enthalpy of Vaporization: 46.76 kJ/mol; (17)Boiling Point: 231 °C at 760 mmHg; (18)Vapour Pressure: 0.0639 mmHg at 25°C.

Preparation of Benzeneacetonitrile, α-methyl-: this chemical can be prepared by phenylacetonitrile and iodomethane. This reaction will need reagent LDA and solvent diethyl ether. The reaction temperature is -90 °C. The yield is about 55%.

Benzeneacetonitrile, α-methyl-l can be prepared by phenylacetonitrile and iodomethane

Uses of Benzeneacetonitrile, α-methyl-: it can be used to produce 3-cyano-3-phenyl-butyric acid ethyl ester at temperature of 60 °C. This reaction will need reagent NaNH₂ and solvent toluene.

Benzeneacetonitrile, α-methyl- can be used to produce 3-cyano-3-phenyl-butyric acid ethyl ester

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. It is irritating to eyes, respiratory system and skin. 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 gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C#N)C1=CC=CC=C1
(2)InChI: InChI=1S/C9H9N/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8H,1H3
(3)InChIKey: NVAOLENBKNECGF-UHFFFAOYSA-N

Product Name

ALPHA-METHYLPHENYLACETONITRILE

Synthetic route

2-Phenylpropionitrile Specification

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