| Identification | More | [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 Properties | Back 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 | [InChI]
InChI=1S/C14H11N/c1-11-6-8-12(9-7-11)14-5-3-2-4-13(14)10-15/h2-9H,1H3 | [InChIKey]
ZGQVZLSNEBEHFN-UHFFFAOYSA-N | [SMILES]
C1(C2=CC=C(C)C=C2)=CC=CC=C1C#N | [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 Data | Back 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 |
| Hazard Information | Back 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.
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