2,3-Difluoro-4-hydroxybenzonitrile Chemical Properties

Melting point:

145-147

Boiling point:

260.8±40.0 °C(Predicted)

Density 

1.44±0.1 g/cm3(Predicted)

storage temp. 

Inert atmosphere,Room Temperature

form 

Solid

pka

5.60±0.23(Predicted)

Appearance

White to light yellow Solid

CAS DataBase Reference

126162-38-7(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi

Risk Statements 

20/21/22-36/37/38

Safety Statements 

26-36/37/39

RIDADR 

3439

HazardClass 

IRRITANT

HS Code 

2926907090

2,3-Difluoro-4-hydroxybenzonitrile Usage And Synthesis

Application

2,3-Difluoro-4-cyanophenol can be used as a pharmaceutical synthesis intermediate. It can be prepared by reacting 2,3-difluorophenyl with N-formaldehyde piperidine to prepare intermediate 4-ethoxy-2,3-difluorobenzaldehyde, further reacting it with hydroxylamine-O-sulfonic acid to prepare intermediate 4-ethoxy-2,3-difluorobenzyl nitrile, and then reacting it with aluminum chloride to obtain the final product.

Chemical Properties

Colorless needles

Synthesis

a) 4-ethoxy-2,3-difluorobenzaldehyde

Add 125 ml, 0.2 mol of n-butyllithium hexane solution, 0.2 mol of 2,3-difluorophenyl, 0.2 mol of tetramethylethylenediamine to 400 ml of tetrahydrofuran solution at -78??C, stir the mixture at 70??C, keep it at -60??C for 2 h. Add dropwise 0.2 mol of N-formylpiperidine and 20 ml of tetrahydrofuran mixture into this mixture, warmed to -20??C and processed conventionally to obtain 4-ethoxy-2,3-difluorobenzaldehyde as a colorless solid, mp 70??C.

b) 4-ethoxy-2,3-difluorobenzonitrile

A mixture of 0.12 mol hydroxylamine-O-sulfonic acid and 50 ml of water was added to a mixture of 0.1 mol 4-ethoxy-2,3-difluorobenzaldehyde and 100 ml of water at 30??C and the mixture was stirred for 1 hour. After heating at 65??C for 2 hours and conventional treatment, a colorless solid 4-ethoxy-2,3-difluorobenzonitrile was obtained, mp 45??C.

c) 2,3-difluoro-4-cyanophenol

A mixture of 0.1 mole of 4-ethoxy-2,3-difluorobenzonitrile, 0.12 mole of aluminum chloride, and 150 ml of toluene was heated at the boiling point for 2 h. Conventional treatment yielded 2,3-difluoro-4-cyanophenol as a colorless solid, mp 145??C.

2,3-Difluoro-4-hydroxybenzonitrile(126162-38-7)Related Product Information

• 4-Fluorophenol
• 2-Fluorophenol
• PHENOLDISULFONIC ACID
• 4-Cyanophenol
• 3-Trifluoromethylphenol
• 2,5-DINITROPHENOL
• 2-Fluoro-4-Cyano phenol
• 3-Fluorobenzonitrile
• 2-Fluoro-4-hydroxybenzonitrile
• 2,3-DIFLUORO-4-METHOXYBENZONITRILE
• 2,3-Difluorobenzonitrile
• 3-Fluoro-4-hydroxybenzonitrile
• 2,6-DIFLUORO-4-HYDROXYBENZONITRILE
• 4,5-DIFLUORO-2-HYDROXYBENZONITRILE
• 2,3-Difluorophenol
• 3,4-DIFLUORO-2-HYDROXYBENZONITRILE
• 3,5-DIFLUORO-2-HYDROXYBENZONITRILE
• 2,3-Difluoro-4-Cyanophenetole