5-Isoquinolinesulfonyl chloride

Colourless Crystalline Solid

The isoquinoline-5-sulfonic acid was placed in a round bottom flask according to the synthetic route of PT019 above, 6 mL of thionyl chloride and one drop of DMF were added and refluxed for three hours. The dichlorosulfoxide was removed by rotary evaporator, DCM was added to the remaining solid, filtered, The solid was washed three times with DCM and dried in a vacuum oven to give white solid intermediate 2 (1 g, yield 91.9percent).Under an ice bath, intermediate 2 (130.00 mg, 571.01 μmol) was slowly added to a solution containing ethylenediamine(381.30 [mu] L, 5.71 mmol) in DCM (6 mL), and the mixture was removed at room temperature for 3 h after removal of the ice bath. After completion of the reaction, wash with waterThe remaining ethylenediamine, the organic phase was removed with a rotary evaporator and the residue was recrystallized from ether to give a tan solid3 (91.8 mg, yield 60percent).a a a) To a flask containing 5-isoquinolinesulfonic acid (5 g, 24 mM) was added SOClWeigh 5g of raw materials A (5-sulfoisoquinoline), placed in 50ml round bottom flask, followed by adding 0.5ml DMF, 25ml of sodium sulfoxide, 80 ° C reflux reaction 3h. To room temperature, evaporated under reduced pressure of sodium sulfoxide and DMF, Add 20ml of ethyl acetate dissolved, filtered, Ethyl acetate solvent was evaporated to dryness to give the intermediate product B (5- isoquinoline sulfonyl chloride).

Molecular Weight:227.67
XLogP3:2.1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:226.9807773
Monoisotopic Mass:226.9807773
Topological Polar Surface Area:55.4
Heavy Atom Count:14
Complexity:298
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes