Product Name

  • Name

    4'-Methyl-2-cyanobiphenyl

  • EINECS 422-310-9
  • CAS No. 114772-53-1
  • Article Data237
  • CAS DataBase
  • Density 1.09 g/cm3
  • Solubility Insoluble in water
  • Melting Point 49 °C
  • Formula C14H11N
  • Boiling Point 356.8 °C at 760 mmHg
  • Molecular Weight 193.248
  • Flash Point 170.4 °C
  • Transport Information
  • Appearance white crystalline powder
  • Safety 22-26-36/37/39-36/37/45/57-20-36
  • Risk Codes 20/21/22-36/37/38-48/25/62/51/53-22
  • Molecular Structure Molecular Structure of 114772-53-1 (4'-Methyl-2-cyanobiphenyl)
  • Hazard Symbols HarmfulXn,Xi
  • Synonyms 2'-Cyano-4-methylbiphenyl;4-Methyl-2'-cyanobiphenyl;2-(4-Methylphenyl)benzonitrile;2-(p-Tolyl)benzonitrile;2-Cyano-4'-methyl-1,1'-biphenyl;2-Cyano-4'-methylbiphenyl;OTBN(O-Tolybenzenitrile);
  • PSA 23.79000
  • LogP 3.53368

Synthetic route

2-Chlorobenzonitrile
873-32-5

2-Chlorobenzonitrile

4-methylphenylboronic acid
5720-05-8

4-methylphenylboronic acid

2-Cyano-4'-methylbiphenyl
114772-53-1

2-Cyano-4'-methylbiphenyl

Conditions
ConditionsYield
With potassium carbonate; dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; palladium diacetate In n-heptane; water at 60℃; for 1.66667h; Suzuki Coupling; Inert atmosphere;100%
With potassium carbonate In water; isopropyl alcohol at 100℃; for 7h; Catalytic behavior; Suzuki-Miyaura Coupling; Inert atmosphere;100%
With bis({5-chloro-2-[(4-chlorophenyl)(hydroxyimino)methyl]phenyl})cyclodipalladachl-orane-1,3,4-tris(ylium)-2-uide; tetra(n-butyl)ammonium hydroxide; potassium carbonate; tri tert-butylphosphoniumtetrafluoroborate In N,N-dimethyl-formamide at 130℃; for 0.666667h; Suzuki-Miyaura coupling; Microwave irradiation;99%
o-cyanobromobenzene
2042-37-7

o-cyanobromobenzene

4-methylphenylboronic acid
5720-05-8

4-methylphenylboronic acid

2-Cyano-4'-methylbiphenyl
114772-53-1

2-Cyano-4'-methylbiphenyl

Conditions
ConditionsYield
With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; caesium carbonate In 1,4-dioxane; water at 50℃; for 5h; Suzuki-Miyaura Coupling; Inert atmosphere;100%
With potassium carbonate; [1-cyclohexyl-3-(di-pyridin-2-yl-methyl)-urea][PdCl2] In water at 100℃; for 1h; Suzuki-Miyaura coupling;99%
With potassium carbonate; palladium dichloride In water; N,N-dimethyl-formamide at 20℃; for 0.0833333h; Suzuki cross-coupling reaction;99%
4-methyl-8-(4-methylphenyl)-2,6-dioxotetrahydro[1,3,2]oxazaborolo[2,3-b][1,3,2]oxazaborol-4-ium-8-uide

4-methyl-8-(4-methylphenyl)-2,6-dioxotetrahydro[1,3,2]oxazaborolo[2,3-b][1,3,2]oxazaborol-4-ium-8-uide

2-Chlorobenzonitrile
873-32-5

2-Chlorobenzonitrile

2-Cyano-4'-methylbiphenyl
114772-53-1

2-Cyano-4'-methylbiphenyl

Conditions
ConditionsYield
With dichloro[1,1′-bis[bis(1,1-dimethylethyl)phosphino]ferrocene-P,P′]palladium; TPGS-750-M; triethylamine In water at 40℃; Inert atmosphere;99%
With potassium carbonate In ethanol; water at 120℃; for 2.5h; Suzuki-Miyaura reaction; continuous flow reactor;54%
2-Chlorobenzonitrile
873-32-5

2-Chlorobenzonitrile

para-methylphenylmagnesium bromide
4294-57-9

para-methylphenylmagnesium bromide

2-Cyano-4'-methylbiphenyl
114772-53-1

2-Cyano-4'-methylbiphenyl

Conditions
ConditionsYield
With C35H31BrN4NiP In tetrahydrofuran at 25℃; for 17h; Schlenk technique; Inert atmosphere;98%
Stage #1: para-methylphenylmagnesium bromide With zinc(II) chloride In tetrahydrofuran at 20℃; for 0.333333h;
Stage #2: 2-Chlorobenzonitrile With bis(tri-t-butylphosphine)palladium(0) In tetrahydrofuran; 1-methyl-pyrrolidin-2-one at 100℃; for 24h; Negishi reaction; Further stages.;
97%
With chloro(1,3-bis(pyridin-2-ylmethyl)imidazolylidene)nickel(II) hexafluorophosphate In tetrahydrofuran at 20℃; for 12h; Kumada-Corriu coupling reaction; Inert atmosphere;85%
2-Chlorobenzonitrile
873-32-5

2-Chlorobenzonitrile

4'-methyl-2-acetyl-1,1'-biphenyl
16927-79-0

4'-methyl-2-acetyl-1,1'-biphenyl

4-methylphenylboronic acid
5720-05-8

4-methylphenylboronic acid

2-Cyano-4'-methylbiphenyl
114772-53-1

2-Cyano-4'-methylbiphenyl

Conditions
ConditionsYield
With cesium fluoride; Pd(dba)2 In 1,4-dioxane98%
2-Chlorobenzonitrile
873-32-5

2-Chlorobenzonitrile

di(p-tolyl)borinic acid
66117-64-4

di(p-tolyl)borinic acid

2-Cyano-4'-methylbiphenyl
114772-53-1

2-Cyano-4'-methylbiphenyl

Conditions
ConditionsYield
With NiCl2(Tris-(4-methoxy-phenyl)-phosphin)2; potassium phosphate tribasic trihydrate; P(p-CH3OC6H4)3 In toluene at 110℃; for 5h; Reagent/catalyst; Inert atmosphere;98%
With triphenyl phosphite; potassium phosphate tribasic trihydrate; N,N′-bis(2,6-diisopropylphenyl)imidazol-2-ylidene hydrochloride; palladium diacetate In tert-butyl alcohol at 80℃; for 16h; Inert atmosphere;97%
With bis(triphenylphosphine)nickel(II) chloride; potassium phosphate tribasic trihydrate; 1-n-butyl-3-methylimidazolim bromide In toluene at 110℃; for 6h; Inert atmosphere;97%
o-cyanobromobenzene
2042-37-7

o-cyanobromobenzene

potassium (4-methylphenyl)trifluoroborate

potassium (4-methylphenyl)trifluoroborate

2-Cyano-4'-methylbiphenyl
114772-53-1

2-Cyano-4'-methylbiphenyl

Conditions
ConditionsYield
With 5%-palladium/activated carbon; oxygen; potassium carbonate In ethanol; water at 80℃; for 0.416667h; Suzuki-Miyaura Coupling;97%
With palladium diacetate; potassium carbonate In ethanol; water at 25℃; for 2h; Suzuki-Miyaura Coupling;95%
4,4-dimethyl-2-(4'-methyl-biphenyl-2-yl)-4,5-dihydrooxazole
84392-32-5

4,4-dimethyl-2-(4'-methyl-biphenyl-2-yl)-4,5-dihydrooxazole

2-Cyano-4'-methylbiphenyl
114772-53-1

2-Cyano-4'-methylbiphenyl

Conditions
ConditionsYield
With pyridine; trichlorophosphate at 100℃; for 3h;96%
With pyridine; trichlorophosphate at 10 - 100℃; for 3h;
Multi-step reaction with 2 steps
1: hydrogenchloride
2: thionyl chloride / water; toluene
View Scheme
o-cyanobromobenzene
2042-37-7

o-cyanobromobenzene

4-tolylmagnesium chloride
696-61-7

4-tolylmagnesium chloride

2-Cyano-4'-methylbiphenyl
114772-53-1

2-Cyano-4'-methylbiphenyl

Conditions
ConditionsYield
With 1,2-dimethoxyethane; Cl4Li2Pd; 1,3-bis-(diphenylphosphino)propane95%
With 1,2-dimethoxyethane; lithium chloride; manganese(ll) chloride; 1,3-bis-(diphenylphosphino)propane; palladium dichloride In tetrahydrofuran at 20℃; for 1 - 3.5h;95%
With 1,2-dimethoxyethane; 1,3-bis-(diphenylphosphino)propane; palladium diacetate94%
2-Chlorobenzonitrile
873-32-5

2-Chlorobenzonitrile

sodium 4-methylbenzenesulfinate
824-79-3

sodium 4-methylbenzenesulfinate

2-Cyano-4'-methylbiphenyl
114772-53-1

2-Cyano-4'-methylbiphenyl

Conditions
ConditionsYield
With palladium diacetate; XPhos In toluene at 120℃; for 40h; Inert atmosphere; Sealed tube;95%
2-Chlorobenzonitrile
873-32-5

2-Chlorobenzonitrile

p-tolylzinc(II) chloride
90252-89-4

p-tolylzinc(II) chloride

2-Cyano-4'-methylbiphenyl
114772-53-1

2-Cyano-4'-methylbiphenyl

Conditions
ConditionsYield
With tetrakis(triphenylphosphine)nickel(0) Negishi-like coupling reaction;94%
With C26H24ClN2NiP*0.1C7H8 In tetrahydrofuran; 1-methyl-pyrrolidin-2-one at 80℃; for 24h; Negishi Coupling; Schlenk technique; Inert atmosphere;92%
tris(dibenzylideneacetone)dipalladium (0); tris[tert-butyl]phosphonium tetrafluoroborate In tetrahydrofuran; 1-methyl-pyrrolidin-2-one at 175℃; for 0.166667h; Negishi cross-coupling; microwave irradiation;90%
With C21H18N8Ni2O(2+)*2F6P(1-) In tetrahydrofuran; 1-methyl-pyrrolidin-2-one at 20 - 80℃; Negishi coupling reaction;88%
2-Chlorobenzonitrile
873-32-5

2-Chlorobenzonitrile

para-chlorotoluene
106-43-4

para-chlorotoluene

2-Cyano-4'-methylbiphenyl
114772-53-1

2-Cyano-4'-methylbiphenyl

Conditions
ConditionsYield
Stage #1: para-chlorotoluene With magnesium In tetrahydrofuran at 50 - 70℃; Inert atmosphere;
Stage #2: 2-Chlorobenzonitrile With magnesium chloride In tetrahydrofuran at 5 - 10℃; Inert atmosphere;
93.6%
PdCl2/dppp

PdCl2/dppp

o-cyanobromobenzene
2042-37-7

o-cyanobromobenzene

4-tolylmagnesium chloride
696-61-7

4-tolylmagnesium chloride

2-Cyano-4'-methylbiphenyl
114772-53-1

2-Cyano-4'-methylbiphenyl

Conditions
ConditionsYield
With hydrogenchloride In tetrahydrofuran; 1,2-dimethoxyethane93%
p-toluidine
106-49-0

p-toluidine

benzonitrile
100-47-0

benzonitrile

2-Cyano-4'-methylbiphenyl
114772-53-1

2-Cyano-4'-methylbiphenyl

Conditions
ConditionsYield
Stage #1: p-toluidine With toluene-4-sulfonic acid; sodium nitrite In water at 25℃;
Stage #2: benzonitrile With copper(l) iodide; sodium acetate In water at 80℃; Solvent; Temperature; Reagent/catalyst;
92.1%
Stage #1: p-toluidine With tetrafluoroboric acid; sodium nitrite In water at 0 - 5℃; for 0.5h; Inert atmosphere;
Stage #2: benzonitrile With Tetrakis(dimethylamino)ethylen; 9-methylamino-1-ethoxyphenalenium tetrafluoroborate In dimethyl sulfoxide at 20℃; for 12h; Glovebox; Inert atmosphere; regioselective reaction;
50%
4'-methylbiphenyl-2-carboxime

4'-methylbiphenyl-2-carboxime

2-Cyano-4'-methylbiphenyl
114772-53-1

2-Cyano-4'-methylbiphenyl

Conditions
ConditionsYield
With phosphorus pentoxide In tetrahydrofuran at 20℃; for 1h;92%
4-methyl-8-(4-methylphenyl)-2,6-dioxotetrahydro[1,3,2]oxazaborolo[2,3-b][1,3,2]oxazaborol-4-ium-8-uide

4-methyl-8-(4-methylphenyl)-2,6-dioxotetrahydro[1,3,2]oxazaborolo[2,3-b][1,3,2]oxazaborol-4-ium-8-uide

o-cyanobromobenzene
2042-37-7

o-cyanobromobenzene

2-Cyano-4'-methylbiphenyl
114772-53-1

2-Cyano-4'-methylbiphenyl

Conditions
ConditionsYield
With dichloro[1,1′-bis[bis(1,1-dimethylethyl)phosphino]ferrocene-P,P′]palladium; TPGS-750-M; triethylamine In water at 20℃; Inert atmosphere;92%
With Pd/Nb2O5; potassium carbonate In ethanol; water at 120℃; for 2h; Suzuki-Miyaura cross-coupling; Microwave irradiation;
2-cyanophenyl 1H-imidazole-1-sulfonate

2-cyanophenyl 1H-imidazole-1-sulfonate

4-methylphenylboronic acid
5720-05-8

4-methylphenylboronic acid

2-Cyano-4'-methylbiphenyl
114772-53-1

2-Cyano-4'-methylbiphenyl

Conditions
ConditionsYield
With C26H16Cl6N2O2Pd2; tetrabutylammomium bromide; potassium hydroxide In methanol; water at 110℃; for 0.333333h; Suzuki coupling; Microwave irradiation;92%
o-cyanobromobenzene
2042-37-7

o-cyanobromobenzene

tributyl(p-tolyl)stannane
31614-66-1

tributyl(p-tolyl)stannane

2-Cyano-4'-methylbiphenyl
114772-53-1

2-Cyano-4'-methylbiphenyl

Conditions
ConditionsYield
With bis-triphenylphosphine-palladium(II) chloride; lithium chloride In N,N-dimethyl-formamide Inert atmosphere;92%
4-methyl-8-(4-methylphenyl)-2,6-dioxotetrahydro[1,3,2]oxazaborolo[2,3-b][1,3,2]oxazaborol-4-ium-8-uide

4-methyl-8-(4-methylphenyl)-2,6-dioxotetrahydro[1,3,2]oxazaborolo[2,3-b][1,3,2]oxazaborol-4-ium-8-uide

2-cyanobenzene-1-sulfonyl fluoride
395-46-0

2-cyanobenzene-1-sulfonyl fluoride

2-Cyano-4'-methylbiphenyl
114772-53-1

2-Cyano-4'-methylbiphenyl

Conditions
ConditionsYield
With palladium diacetate; potassium carbonate; diisopropylamine In ethanol; water at 25℃; for 4h;92%
o-(p-tolyl)benzaldoxime

o-(p-tolyl)benzaldoxime

2-Cyano-4'-methylbiphenyl
114772-53-1

2-Cyano-4'-methylbiphenyl

Conditions
ConditionsYield
With formic acid91%
2-iodobenzonitrile
4387-36-4

2-iodobenzonitrile

4-methylphenylboronic acid
5720-05-8

4-methylphenylboronic acid

2-Cyano-4'-methylbiphenyl
114772-53-1

2-Cyano-4'-methylbiphenyl

Conditions
ConditionsYield
With potassium phosphate Reflux;90.4%
With sodium carbonate In water; ethyl acetate; isopropyl alcohol at 50℃; for 0.00111111h; Suzuki-Miyaura coupling; Microchannel flow reactor;99 %Chromat.
With tetrakis(triphenylphosphine) palladium(0); sodium carbonate In N,N-dimethyl-formamide for 6h; Suzuki Coupling; Inert atmosphere; Reflux;
2-Chlorobenzonitrile
873-32-5

2-Chlorobenzonitrile

4-tolylmagnesium chloride
696-61-7

4-tolylmagnesium chloride

2-Cyano-4'-methylbiphenyl
114772-53-1

2-Cyano-4'-methylbiphenyl

Conditions
ConditionsYield
Stage #1: 2-Chlorobenzonitrile With bis(triphenylphosphine)nickel(II) chloride; methoxydichlorozinc acid In tetrahydrofuran at 20℃; for 0.25h;
Stage #2: 4-tolylmagnesium chloride In tetrahydrofuran at 28 - 32℃; Inert atmosphere;
90%
Stage #1: 2-Chlorobenzonitrile With chloro-trimethyl-silane; manganese(ll) chloride In tetrahydrofuran at -5 - 0℃; Inert atmosphere; Green chemistry;
Stage #2: 4-tolylmagnesium chloride In tetrahydrofuran at -5 - 25℃; for 9h; Inert atmosphere; Green chemistry;
86%
With nickel; zinc(II) chloride In tetrahydrofuran at 50 - 60℃; Product distribution; various double metal catalysts, various yield of products;
With iron(III) chloride In tetrahydrofuran at 0 - 130℃; for 3h; Temperature; Grignard Reaction; Large scale;6.93 kg
sodium 4-methylbenzenesulfinate
824-79-3

sodium 4-methylbenzenesulfinate

2-<(trifluoromethanesulfonyl)oxy>benzonitrile
138313-23-2

2-<(trifluoromethanesulfonyl)oxy>benzonitrile

2-Cyano-4'-methylbiphenyl
114772-53-1

2-Cyano-4'-methylbiphenyl

Conditions
ConditionsYield
With palladium diacetate; XPhos In toluene at 120℃; for 24h; Sealed tube; Inert atmosphere;90%
o-cyanobromobenzene
2042-37-7

o-cyanobromobenzene

sodium 4-methylbenzenesulfinate
824-79-3

sodium 4-methylbenzenesulfinate

2-Cyano-4'-methylbiphenyl
114772-53-1

2-Cyano-4'-methylbiphenyl

Conditions
ConditionsYield
With palladium diacetate; XPhos In toluene at 120℃; for 40h; Inert atmosphere; Sealed tube;90%
With caesium carbonate; palladium dichloride In N,N-dimethyl-formamide at 185℃; for 20h; Inert atmosphere; Sealed tube;54%
4-tolyl iodide
624-31-7

4-tolyl iodide

2-Cyanophenylboronic acid
138642-62-3

2-Cyanophenylboronic acid

2-Cyano-4'-methylbiphenyl
114772-53-1

2-Cyano-4'-methylbiphenyl

Conditions
ConditionsYield
With Ti0.97Pd0.03O1.97; potassium carbonate In water at 100℃; for 6h; Suzuki-Miyaura Coupling;89%
NiCl2 (Ph3 P)2

NiCl2 (Ph3 P)2

ethyl acetate n-hexane

ethyl acetate n-hexane

para-bromotoluene
106-38-7

para-bromotoluene

o-cyanobromobenzene
2042-37-7

o-cyanobromobenzene

2-Cyano-4'-methylbiphenyl
114772-53-1

2-Cyano-4'-methylbiphenyl

Conditions
ConditionsYield
With hydrogenchloride; tert.-butyl lithium; zinc(II) chloride In tetrahydrofuran; pentane88%
With hydrogenchloride; tert.-butyl lithium; zinc(II) chloride In tetrahydrofuran; pentane88%
With hydrogenchloride; tert.-butyl lithium; zinc(II) chloride In tetrahydrofuran; pentane88%
NiCl2 (Ph3 P)2

NiCl2 (Ph3 P)2

para-bromotoluene
106-38-7

para-bromotoluene

o-cyanobromobenzene
2042-37-7

o-cyanobromobenzene

2-Cyano-4'-methylbiphenyl
114772-53-1

2-Cyano-4'-methylbiphenyl

Conditions
ConditionsYield
With hydrogenchloride; tert.-butyl lithium; zinc(II) chloride In tetrahydrofuran; pentane88%
With hydrogenchloride; tert.-butyl lithium; zinc(II) chloride In tetrahydrofuran; hexane; ethyl acetate; pentane
With hydrogenchloride; tert.-butyl lithium; zinc(II) chloride In tetrahydrofuran; hexane; ethyl acetate; pentane
o-cyanobromobenzene
2042-37-7

o-cyanobromobenzene

4-tolylmagnesium chloride
696-61-7

4-tolylmagnesium chloride

palladium dichloride

palladium dichloride

2-Cyano-4'-methylbiphenyl
114772-53-1

2-Cyano-4'-methylbiphenyl

Conditions
ConditionsYield
With triphenylphosphine In tetrahydrofuran; water; toluene88%
para-bromotoluene
106-38-7

para-bromotoluene

2-(cyano)halobenzene

2-(cyano)halobenzene

2-Cyano-4'-methylbiphenyl
114772-53-1

2-Cyano-4'-methylbiphenyl

Conditions
ConditionsYield
Stage #1: para-bromotoluene With chloro-trimethyl-silane; ethylene dibromide; lithium chloride; zinc In tetrahydrofuran at 25℃; for 24h; Knochel Zinc Vinyl Coupling; Inert atmosphere;
Stage #2: 2-(cyano)halobenzene With [1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene](3-chloropyridyl)palladium(ll) dichloride In tetrahydrofuran at 25℃; for 1h; Knochel Zinc Vinyl Coupling; Inert atmosphere; Schlenk technique;
88%
Pd2 (dba)3

Pd2 (dba)3

2-Chlorobenzonitrile
873-32-5

2-Chlorobenzonitrile

4-methylphenylboronic acid
5720-05-8

4-methylphenylboronic acid

2-Cyano-4'-methylbiphenyl
114772-53-1

2-Cyano-4'-methylbiphenyl

Conditions
ConditionsYield
With cesium fluoride In 1,4-dioxane87%
2-Cyano-4'-methylbiphenyl
114772-53-1

2-Cyano-4'-methylbiphenyl

2-(tetrazol-5-yl)-4'-methyl-1,1'-biphenyl
120568-11-8

2-(tetrazol-5-yl)-4'-methyl-1,1'-biphenyl

Conditions
ConditionsYield
With trimethylsilylazide; tetrabutyl ammonium fluoride at 120℃; for 36h;97%
With sodium azide; zinc(II) chloride In N,N-dimethyl-formamide for 36h; Heating;96%
With sodium azide; triethylamine hydrochloride In N,N-dimethyl-formamide at 35℃; for 3h; Temperature; Sonication;96%
2-Cyano-4'-methylbiphenyl
114772-53-1

2-Cyano-4'-methylbiphenyl

methyl 2-diazo-2-(fluorosulfonyl)acetate

methyl 2-diazo-2-(fluorosulfonyl)acetate

5-methoxy-2-(4'-methyl-[1,1'-biphenyl]-2-yl)oxazole-4-sulfonyl fluoride

5-methoxy-2-(4'-methyl-[1,1'-biphenyl]-2-yl)oxazole-4-sulfonyl fluoride

Conditions
ConditionsYield
Stage #1: 2-Cyano-4'-methylbiphenyl With dirhodium tetraacetate In chloroform at 70℃;
Stage #2: methyl 2-diazo-2-(fluorosulfonyl)acetate In chloroform at 70℃; for 12h;
97%
2-Cyano-4'-methylbiphenyl
114772-53-1

2-Cyano-4'-methylbiphenyl

4'-(bromomethyl)-1,1'-biphenyl-2-carbonitrile
114772-54-2

4'-(bromomethyl)-1,1'-biphenyl-2-carbonitrile

Conditions
ConditionsYield
With N-Bromosuccinimide; dibenzoyl peroxide In tetrachloromethane96%
With bromine In water; 1,2-dichloro-ethane at 84℃; for 0.25h; Temperature; Solvent; Irradiation; Flow reactor;96.3%
With bromine In 1,2-dichloro-ethane at 70℃; for 0.5h; Reagent/catalyst; Temperature; Time; Irradiation;94%
2-Cyano-4'-methylbiphenyl
114772-53-1

2-Cyano-4'-methylbiphenyl

5-<4'-Methyl-1,1'-biphenyl-2-yl>-1H-tetrazole
120568-11-8

5-<4'-Methyl-1,1'-biphenyl-2-yl>-1H-tetrazole

Conditions
ConditionsYield
Stage #1: 2-Cyano-4'-methylbiphenyl With sodium azide; zinc(II) chloride In N,N-dimethyl-formamide for 36h; Heating;
Stage #2: With hydrogenchloride In N,N-dimethyl-formamide for 1h; cooling; Further stages.;
96%
With hydrogenchloride; sodium azide; triethylamine hydrochloride In 5,5-dimethyl-1,3-cyclohexadiene at 28 - 142℃; for 29h;87%
Stage #1: 2-Cyano-4'-methylbiphenyl With sodium azide In N,N-dimethyl-formamide at 135℃; for 37h;
Stage #2: With hydrogenchloride In water; ethyl acetate; N,N-dimethyl-formamide
82%
2-Cyano-4'-methylbiphenyl
114772-53-1

2-Cyano-4'-methylbiphenyl

4-Methylbiphenyl-2'-carboxamidoxime
147403-93-8

4-Methylbiphenyl-2'-carboxamidoxime

Conditions
ConditionsYield
With hydroxylamine hydrochloride In methanol; dimethyl sulfoxide96%
With hydroxylamine hydrochloride; triethylamine In dimethyl sulfoxide at 80 - 85℃; for 24h; Reagent/catalyst; Solvent;89.6%
aqueous hydrochloric acid(pH 1)

aqueous hydrochloric acid(pH 1)

2-Cyano-4'-methylbiphenyl
114772-53-1

2-Cyano-4'-methylbiphenyl

2-(tetrazol-5-yl)-4'-methyl-1,1'-biphenyl
120568-11-8

2-(tetrazol-5-yl)-4'-methyl-1,1'-biphenyl

Conditions
ConditionsYield
Zinc chloride In (2S)-N-methyl-1-phenylpropan-2-amine hydrate; N,N-dimethyl-formamide94%
2-Cyano-4'-methylbiphenyl
114772-53-1

2-Cyano-4'-methylbiphenyl

o-(p-tolyl)-benzylamine hydrochloride
1536169-09-1

o-(p-tolyl)-benzylamine hydrochloride

Conditions
ConditionsYield
Stage #1: 2-Cyano-4'-methylbiphenyl With C46H178O41Si42; titanium(IV)isopropoxide In toluene at 60℃; for 9h; Inert atmosphere;
Stage #2: With hydrogenchloride; water In toluene at 20℃; for 9h; Inert atmosphere;
94%
2-Cyano-4'-methylbiphenyl
114772-53-1

2-Cyano-4'-methylbiphenyl

o-tolylbenzoic acid
7148-03-0

o-tolylbenzoic acid

Conditions
ConditionsYield
With potassium hydroxide In ethylene glycol at 170℃; for 48h;93%
With sodium hydroxide In methanol; water at 80℃; for 10h; Temperature; Large scale;91.06%
Stage #1: 2-Cyano-4'-methylbiphenyl With sodium hydroxide In ethylene glycol at 170℃; for 8h;
Stage #2: With hydrogenchloride In water; toluene
90.4%
2-Cyano-4'-methylbiphenyl
114772-53-1

2-Cyano-4'-methylbiphenyl

4-methyl-2'-thiocarboxamido-1,1'-biphenyl
162356-74-3

4-methyl-2'-thiocarboxamido-1,1'-biphenyl

Conditions
ConditionsYield
With hydrogenchloride In methanol92%
Stage #1: 2-Cyano-4'-methylbiphenyl With magnesium(II) chloride hexahydrate; sodium monohydrogensulphide hydrate In water; N,N-dimethyl-formamide at 20℃; for 2h;
Stage #2: With hydrogenchloride In water for 0.333333h;
92.1%

4'-Methyl-2-cyanobiphenyl Chemical Properties

Molecular structure of 4'-Methyl-2-cyanobiphenyl (CAS NO.114772-53-1) is:

Product Name: 4'-Methyl-2-cyanobiphenyl
CAS Registry Number: 114772-53-1
IUPAC Name: 2-(4-methylphenyl)benzonitrile
Molecular Weight: 193.24384 [g/mol]
Molecular Formula: C14H11N
XLogP3: 3.8
H-Bond Donor: 0
H-Bond Acceptor: 1 
EINECS: 422-310-9
Melting Point: 49 °C
Surface Tension: 47.7 dyne/cm
Density: 1.09 g/cm3
Flash Point: 170.4 °C
Enthalpy of Vaporization: 60.21 kJ/mol
Boiling Point: 356.8 °C at 760 mmHg
Vapour Pressure: 2.86E-05 mmHg at 25°C
Product Categories: Starting Raw Materials & Intermediates;Biphenyl derivatives;Intermediatesof;Biphenyl & Diphenyl ether;(intermediate of telmisartan);(intermediate of sartan);(intermediate of sartan s product);Losartan Potassium;Chiral Compound;Hypertension;Building block;Liquid Crystals;Organic Electronics and Photonics

4'-Methyl-2-cyanobiphenyl Uses

 4'-Methyl-2-cyanobiphenyl (CAS NO.114772-53-1) is used  for   pharmaceutical intermediates .

4'-Methyl-2-cyanobiphenyl Safety Profile

Hazard Codes: HarmfulXn,Xi
Risk Statements: 20/21/22-36/37/38-48/25/62/51/53-22 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed. 
R36/37/38:Irritating to eyes, respiratory system and skin. 
R48/25/62/51/53:Danger of serious damage to health by prolonged exposure, Toxic if swallowed, Risk of impaired fertility and Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. 
R22:Harmful if swallowed.
Safety Statements: 22-26-36/37/39-36/37/45/57-20-36 
S22:Do not breathe dust. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S36/37/45/57:Wear suitable protective clothing and gloves ,In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) ,Use appropriate container to avoid environmental contamination. 
S20:When using, do not eat or drink. 
S36:Wear suitable protective clothing.
RIDADR: 3276
Hazard Note: Irritant
HazardClass: 9
PackingGroup: III

4'-Methyl-2-cyanobiphenyl Specification

 4'-Methyl-2-cyanobiphenyl , its cas register number is 114772-53-1. It also can be called 4'-Methylbiphenyl-2-carbonitrile ; 2-Cyano-4'-methylbiphenyl .It is a white crystalline powder.It insoluble in water.

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