1-ACETOXY-3-FLUOROBENZENE Chemical Properties

Boiling point:

77-78 °C13 mm Hg(lit.)

Density 

1.147 g/mL at 25 °C(lit.)

refractive index 

n20/D 1.4800(lit.)

Flash point:

168 °F

storage temp. 

Sealed in dry,Room Temperature

form 

clear liquid

color 

Colorless to Almost colorless

BRN 

2555261

CAS DataBase Reference

701-83-7(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xn

Risk Statements 

22-36/37/38-43

Safety Statements 

26-24/25

RIDADR 

2810

WGK Germany 

3

Hazard Note 

Harmful

HazardClass 

6.1

PackingGroup 

III

HS Code 

29153900

MSDS

• Language:English Provider:ACROS
• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

1-ACETOXY-3-FLUOROBENZENE Usage And Synthesis

Chemical Properties

colourlesstolightyellowliqui

Synthesis

3-Fluorophenol (10 g, 89 mmol) was dissolved in acetic anhydride (90 mmol). Concentrated sulfuric acid (3 drops) was added as a catalyst and the reaction mixture was heated to 120°C. After completion of the reaction, the mixture was slowly poured into ice water (100 ml) containing NaHCO3 (1 g) to neutralize the acid. Subsequently, the organic phase was separated by extraction with ethyl acetate. The organic phase was washed sequentially with saturated NaHCO3 solution to remove residual acid and dried with anhydrous Na2SO4. Finally, the solvent was removed by distillation under reduced pressure to give 3-fluorophenol acetate (10.5 g), and the product was used directly in the subsequent reaction.

References

[1] Chemistry - A European Journal, 2015, vol. 21, # 5, p. 2241 - 2249
[2] Journal of Medicinal Chemistry, 1987, vol. 30, # 5, p. 814 - 820
[3] Journal of Medicinal Chemistry, 2018, vol. 61, # 7, p. 3037 - 3058
[4] Patent: CN105085427, 2018, B. Location in patent: Paragraph 0331; 0333; 0335; 0336

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