4'-Methyl-2-cyanobiphenyl

4'-Methyl-2-cyanobiphenyl

Product Introduction

 
4'-Methyl-2-cyanobiphenyl Basic information
Product Name: 4'-Methyl-2-cyanobiphenyl
Synonyms: methyl diphenyl;2-cyanogen radical-4'-methyl biphenyl;2-[(4-methyl)pentyl]-benzonitrile;OTBN;4'-Methyl-2-Cyano Diphenyl;AKOS BAR-1203;4'-METHYLBIPHENYL-2-CARBONITRILE;4'-METHYL-2-BIPHENYLCARBONITRILE
CAS: 114772-53-1
MF: C14H11N
MW: 193.24
EINECS: 422-310-9
Product Categories: Biphenyl & Diphenyl ether;(intermediate of telmisartan);Biphenyl derivatives;(intermediate of sartan);(intermediate of sartan s product);Losartan Potassium;Starting Raw Materials & Intermediates;INTERMEDIATESOF;Chiral Compound;Hypertension;Building block;Liquid Crystals;Organic Electronics and Photonics;cyanide;114772-53-1
Mol File: 114772-53-1.mol
4'-Methyl-2-cyanobiphenyl Structure
 
4'-Methyl-2-cyanobiphenyl Chemical Properties
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
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 Information
Hazard Codes Xn,Xi
Risk Statements 20/21/22-36/37/38-48/25/62/51/53-22
Safety Statements 22-26-36/37/39-36/37/45/57-20-36
WGK Germany 3
Hazard Note Irritant
HS Code 27075000
 
MSDS Information
Provider Language
2-Cyano-4'-methylbiphenyl English
ACROS English
ALFA English
 
4'-Methyl-2-cyanobiphenyl Usage And Synthesis
Chemical Properties White crystalline powder
Uses 4'-Methylbiphenyl-2-carbonitrile 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 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
 
4'-Methyl-2-cyanobiphenyl Preparation Products And Raw materials
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

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