6-BROMO-2-METHYL-1,3-BENZOTHIAZOLE

Pale yellow liquid

Compound 10 (678 mg, 2.00 mmol)Was dissolved in dimethylformamide (4.00 mL)Sodium sulfide nonahydrate (721 mg, 6.00 mmol), Copper (I) iodide (38.0 mg, 0.200 mmol) was added, And the mixture was stirred at 80 ° C. for 8 hours.After returning to room temperature, Concentrated hydrochloric acid (1.6 mL) was added, And the mixture was further stirred at 80 ° C. for 12 hours.Saturated aqueous sodium hydrogen carbonate solution (20 mL) was added, And extracted with ethyl acetate (50 mL × 2).The organic layer was washed with saturated brine, After dehydration with anhydrous magnesium sulfate, The solvent was distilled off under reduced pressure, The residue was subjected to silica gel column chromatography using ethyl acetate / hexane (1/4 (volume ratio)) as an elution solvent, Compound 11 was obtained in a yield of 134 mg (29.5percent).Compound 1 (678 mg, 2.00 mmol) synthesized by the method shown in Example 1-1 was dissolved in dimethylformamide (4.00 mL)Sodium sulfide nonahydrate (721 mg, 6.00 mmol), Copper (I) iodide (38.0 mg, 0.200 mmol) was added, And the mixture was stirred at 80 ° C. for 8 hours.The temperature was returned to room temperature, concentrated hydrochloric acid (1.6 mL) was added, And the mixture was further stirred at 80 ° C. for 12 hours.Saturated aqueous sodium hydrogen carbonate solution (20 mL) was added and extracted with ethyl acetate (50 mL × 2).The organic layer was washed with saturated brine, After dehydration with anhydrous magnesium sulfate, the solvent was distilled off under reduced pressure, The residue was subjected to silica gel column chromatography using ethyl acetate / hexane (1/4, volume ratio) as an elution solvent, Compound 2 was obtained in a yield of 134 mg (yield 29.5percent).

Molecular Weight:228.11
XLogP3:3.5
Hydrogen Bond Acceptor Count:2
Exact Mass:226.94043
Monoisotopic Mass:226.94043
Topological Polar Surface Area:41.1
Heavy Atom Count:11
Complexity:153
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes