1-(5-Pyrimidinyl)ethanone

The5-bromo-pyrimidine (9.4 mmol) is dissolved in tetrahydrofuran steams again 30ml in. At -78 ° C lower, will n-BuLi (11.3 mmol) in drops to the reactionsystem, and stirring 30 minutes. N-methoxy-N-methyl acetamide (11.8 mmol) oftetrahydrofuran solution (15 ml) at -78 ° C in the system dropping, andstirring 1 hour. Under room temperature, add saturated ammonium chlorideaqueous solution, ethyl acetate extraction 3 times. Concentrated extract, column chromatography (ethyl acetate: petroleum ether = 1 the [...] 10)separated to obtain title compound 175 mg per litre. a 100ml single mouth eggplant-shaped bottle was added with a magnetic stirrer, and then 0.92g of p-bromobenzaldehyde, 0.67g of 10 mmol of the compound 1-1 and 20 mmol of 1-2 were added to a solution of 6 mL of a 3 mol/L sodium hydroxide aqueous solution in ethanol (30 mL), and stirred at room temperature for 3 h. The reaction product was filtered, dried, and crystallized from a mixed solution of ethyl acetate/acetic acid (1:1 v/v) to give yellow crystals.

A substituted pyrimidine used in the study for prediction of relative potency of ketone protease inhibitors using molecular orbital theory.

Molecular Weight:122.12
XLogP3:-0.1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:122.048012819
Monoisotopic Mass:122.048012819
Topological Polar Surface Area:42.8
Heavy Atom Count:9
Complexity:108
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes