Benzenesulfonyl chloride, 3-fluoro-4-methoxy- (9CI) Chemical Properties

Melting point:

77-81 °C

Boiling point:

314.9±22.0 °C(Predicted)

Density 

1.455±0.06 g/cm3(Predicted)

storage temp. 

under inert gas (nitrogen or Argon) at 2-8°C

form 

solid

color 

White

Sensitive 

Moisture Sensitive

Safety Information

Hazard Codes 

C

Risk Statements 

34

Safety Statements 

26-36/37/39-45

RIDADR 

UN 3261 8/PG 2

WGK Germany 

3

HazardClass 

IRRITANT

HazardClass 

8

HS Code 

29049090

Benzenesulfonyl chloride, 3-fluoro-4-methoxy- (9CI) Usage And Synthesis

Synthesis

The general procedure for the synthesis of 3-fluoro-4-methoxybenzenesulfonyl chloride from 2-fluoroanisole was as follows: 2-fluoroanisole (33.7 mL, 301 mmol) was dissolved in chloroform (250 mL), stirred and cooled to 0 °C. Subsequently, chlorosulfonic acid (50.0 mL, 752 mmol) was slowly added dropwise. After the dropwise addition, the reaction mixture was stirred at room temperature for 14 hours. After completion of the reaction, the mixture was poured into ice water (700 mL) and the aqueous phase was extracted with chloroform (2 x 200 mL). The organic phases were combined, dried with anhydrous sodium sulfate, filtered and concentrated to afford 3-fluoro-4-methoxybenzenesulfonyl chloride as a white fine solid (58.6 g, 87% yield) with a melting point of 80°C. 1H NMR (400 MHz, DMSO-d6) δ: 7.32 (m, 1H), 7.25 (dd, J = 11.5, 2.0 Hz, 1H), 7.05 (t, J = 8.5 Hz, 2.0 Hz, 1H). J = 8.5 Hz, 1H), 3.78 (s, 3H).

References

[1] Patent: WO2004/50631, 2004, A1. Location in patent: Page 122-123

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