4-Ethoxy-[1,1'-biphenyl]-4'-carbonitrile Chemical Properties

Melting point:

102 °C

Boiling point:

380.8±35.0 °C(Predicted)

Density 

1.12±0.1 g/cm3(Predicted)

storage temp. 

Sealed in dry,Room Temperature

solubility 

soluble in Toluene

form 

powder to crystal

color 

White to Almost white

InChI

InChI=1S/C15H13NO/c1-2-17-15-9-7-14(8-10-15)13-5-3-12(11-16)4-6-13/h3-10H,2H2,1H3

InChIKey

VETJRGXWDLHERN-UHFFFAOYSA-N

SMILES

C1(C2=CC=C(OCC)C=C2)=CC=C(C#N)C=C1

CAS DataBase Reference

58743-78-5(CAS DataBase Reference)

EPA Substance Registry System

[1,1'-Biphenyl]-4-carbonitrile, 4'-ethoxy- (58743-78-5)

Safety Information

Risk Statements 

22-36/37/38

Safety Statements 

26-36/37-60

HS Code 

29269090

4-Ethoxy-[1,1'-biphenyl]-4'-carbonitrile Usage And Synthesis

Chemical Properties

white crystal

Uses

Intermediates of Liquid Crystals

Synthesis

General procedure for the synthesis of 4-ethoxy-4'-cyanobiphenyl from 4-bromobenzonitrile and 4-ethoxyphenylboronic acid: in typical experiments, a mixture of aryl bromide (0.50 mmol), phenylboronic acid (0.55 mmol), K2CO3 (1.5 mmol), 0.2 mol% of ligand, and 1 mol% of PdCl2(CH3CN)2 in 1.5 mL of ethanol was stirred. The reaction was carried out in air at 50 °C for 1.5 hours. Subsequently, the solvent ethanol was completely removed under vacuum at 0.09 MPa and 45 °C to give the crude product. Finally, the target product was isolated and purified by silica gel column chromatography.

References

[1] Journal of Materials Chemistry A, 2013, vol. 1, # 41, p. 12909 - 12918
[2] Journal of Inclusion Phenomena and Macrocyclic Chemistry, 2017, vol. 87, # 1-2, p. 29 - 36

4-Ethoxy-[1,1'-biphenyl]-4'-carbonitrile(58743-78-5)Related Product Information

• acetic acid, triethoxy-, ethyl ester
• 2-Ethoxyphenol
• Ethoxyethyne
• Ethyl (ethoxymethylene)cyanoacetate
• Ethopabate
• ar-ethoxybenzamide
• DIETHOXYMETHANE
• Biphenyl
• Phenetidine
• 4-Cyanobiphenyl
• Ethoxyquin
• 4'-(Octyloxy)-4-biphenylcarbonitrile
• 4-Pentyloxy-[1,1'-biphenyl]-4'-carbonitrile
• 4-Cyanobiphenyl-4'-pentylbenzoate
• 4'-(HEXYLOXY)-4-BIPHENYLCARBONITRILE
• 4-Cyanobiphenyl-4'-Trans-Propylcyclohexylcarboxylate
• 4-Butoxy-[1,1'-biphenyl]-4'-carbonitrile
• Ethoxy