5-bromo-2-methylsulfanyl-3H-pyrimidin-4-one

Step 2, Preparation of 5-bromo-2-methylthio-4-pyrimidinone: Take 142 g of 2-methylthio-4-pyrimidinone, dissolve in 500 ml of methylene chloride, add NBS 190 g, reflux for 6 hours, After the reaction is completed, cool to room temperature, filter, wash the filtrate, organicThe phase was dried and recrystallized on an ice bath to give 190 g of a pale yellow solid in a yield of 87percent.(EX-6B) A solution of EX-6A (74.0 g, 520.5 mmol) in glacial acetic acid (2275 mL) was cooled to 0° C. with an ice bath and treated with BrTo a solution containing 2.0 g (14 mmol) of 2- (methylthio) pyrimidin-4(3H)-one in 10 ml of acetic acid under a nitrogen atmosphere was added 1.04 ml (14 mmol) of bromine in 2 ml acetic acid. The reaction was allowed to stir at room temperature for 30 min. The precipitated product was filtered, washed with acetic acid and suspended in hot acetic acid- To this suspention was added 0.2 ml bromine in 1ml acetic acid. The product was collected, washed with acetic acid and recrystallized from ethanol to yield 1.4 g (45 percent) of product. Step 2, Preparation of (EX-6B) A solution of EX-6A (74.0 g, 520.5 mmol) in glacial acetic acid (2275 mL) was cooled to 0° C. with an ice bath and treated with Br2. The reaction mixture was allowed to warm to room temperature, and to stir for 16 h. A yellow precipitate formed which was filtered and washed with ether three times. 97.2 g of EX-6B was isolated in 62percent yield.To a solution containing 2.0 g (14 mmol) of 2- (methylthio) pyrimidin-4(3H)-one in 10 ml of acetic acid under a nitrogen atmosphere was added 1.04 ml (14 mmol) of bromine in 2 ml acetic acid. The reaction was allowed to stir at room temperature for 30 min. The precipitated product was filtered, washed with acetic acid and suspended in hot acetic acid- To this suspention was added 0.2 ml bromine in 1ml acetic acid. The product was collected, washed with acetic acid and recrystallized from ethanol to yield 1.4 g (45 percent) of product. 1H NMR (CD30D) 5: 2. 61 (s, 3H) , 8.29 (s, 1H).Synthetic routeSynthetic route

Molecular Weight:221.08
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:219.93060
Monoisotopic Mass:219.93060
Topological Polar Surface Area:66.8
Heavy Atom Count:10
Complexity:224
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes