ChemicalBook--->CAS DataBase List--->114772-53-1

114772-53-1

114772-53-1 Structure

114772-53-1 Structure
IdentificationMore
[Name]

4'-Methyl-2-cyanobiphenyl
[CAS]

114772-53-1
[Synonyms]

2-(4-METHYLPHENYL)BENZONITRILE
2-(4-TOLYL)-BENZONITRILE
2'-CYANO-4-METHYLBIPHENYL
2-CYANO-4'-METHYLBIPHENYL
[2-(P-TOLYL)BENZONITRILE]
4'-METHYL[1,1'-BIPHENYL]-2-CARBONITRILE
4'-METHYL-2-BIPHENYLCARBONITRILE
4'-METHYL-2-CYANOBIPHENYL
4'-METHYLBIPHENYL-2-CARBONITRILE
AKOS BAR-1203
OTBN
4'-Methyl-2-Cyano Diphenyl
2-cyanogen radical-4'-methyl biphenyl
2-[(4-methyl)pentyl]-benzonitrile
2-CYANO-4''-METHYLBIPHENYL (OTBN)
4''-METHYL-2-CYANO-BIPHENYL (FOR LOSARTAN)
2-CYANO-4''-METHYLBIPHENYL(SARTANBIPHENYL)
2-tolylbenzonitrile
Sartandiphenyl
2-CYANO-4''-METHYLBIPHENYL 99%MIN
[EINECS(EC#)]

422-310-9
[Molecular Formula]

C14H11N
[MDL Number]

MFCD00151805
[Molecular Weight]

193.24
[MOL File]

114772-53-1.mol
Chemical PropertiesBack Directory
[Appearance]

White crystalline powder
[Melting point ]

49 °C
[Boiling point ]

>320°C
[density ]

1,17 g/cm3
[vapor pressure ]

0.014Pa at 20℃
[Fp ]

>320°C
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Crystalline Powder
[color ]

Off-white to beige
[Detection Methods]

GC
[BRN ]

3605954
[LogP]

3.5 at 23℃
[CAS DataBase Reference]

114772-53-1(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzonitrile, 2-(4-methylphenyl)-(114772-53-1)
Safety DataBack Directory
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
R22:Harmful if swallowed.
[Safety Statements ]

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 .
S20:When using, do not eat or drink .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HS Code ]

27075000
Raw materials And Preparation ProductsBack Directory
[Raw materials]

POTASSIUM 4-METHYLPHENYLTRIFLUOROBORATE-->2-Bromobenzonitrile
[Preparation Products]

5-[4'-(Bromomethyl)-[1,1'-biphenyl]-2-yl]-2-(triphenylmethyl)-2H-tetrazole-->4’-[(2-butyl-4-chloro-5-hydroxymethyl)-1H-imidazol-1-yl)methyl]-[1,1’-Biphenyl]-2-carbonitrile
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-Cyano-4'-methylbiphenyl(114772-53-1).msds
Hazard InformationBack Directory
[Chemical Properties]

White crystalline powder
[Uses]

4'-Methylbiphenyl-2-carbonitrile(114772-53-1) is an intermediate in the synthesis of glycogen synthase kinase-3 inhibitors with a selective sting for glycogen synthase kinase 3α.
[Synthesis]

4'-Methyl-2-cyanobiphenyl (114772-53-1) is prepared by the reaction of o-cyanobromobenzene and potassium (4-methylphenyl)trifluoroborate. The specific synthesis steps are as follows:
General procedure: A mixture of aryl halide (0.5 mmol), potassium aryltrifluoroborate (0.6 mmol), K2CO3 (1.0 mmol), Pd/C (5%; 0.5 mol%), ethanol (3 mL), and distilled water (1 mL) was stirred at 80 °C in air for the time indicated. The reaction mixture was added to brine (15 mL) and extracted with ethyl acetate (4×15 mL). The organic solvent was removed under vacuum, and the product was isolated by short-column chromatography.
4'-Methyl-2-cyanobiphenyl synthesis
Spectrum DetailBack Directory
[Spectrum Detail]

4'-Methyl-2-cyanobiphenyl(114772-53-1)IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4'-Methyl-2-cyanobiphenyl, 98%(114772-53-1)
[Alfa Aesar]

2-Cyano-4'-methylbiphenyl, 98+%(114772-53-1)
[Sigma Aldrich]

114772-53-1(sigmaaldrich)
[TCI AMERICA]

2-Cyano-4'-methylbiphenyl,>99.0%(GC)(114772-53-1)
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