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

A stirred solution of 2-fluoroanisole (33.7 mL, 301 MMOL) in chloroform (250 mL) was cooled to 0°C and treated drop-wise with chlorosulfonic acid (50.0 mL, 752 MMOL). After stirring at room temperature for 14 hours, the reaction mixture was poured into ice-water (700 mL) and the separated, aqueous phase extracted with chloroform (2 x 200 mL). The combined organic phase was dried over anhydrous sodium sulfate, filtered, and concentrated IN VACUO TO YIELD 3-FLUORO-4- METHOXYBENZENESULFONYL CHLORIDE as a fine, white solid (58.6 g, 87percent), m. p. 80°C ; 1H NMR (400 MHz, DMSO-d6) 5 : 7.32 (m, 1H), 7.25 (dd, J= 11.5, 2.0 Hz, 1H), 7.05 (t, J = 8. 5 HZ, 1 H), 3.78 (s, 3H).

Molecular Weight:224.64
XLogP3:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:223.9710211
Monoisotopic Mass:223.9710211
Topological Polar Surface Area:51.8
Heavy Atom Count:13
Complexity:261
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes