5-aMino-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazole-4-carboxaMide

A solution of I-44a (<228 mmol, crude from previous reaction) in ethanol (300 mL) was treated with 35percent aqueous hydrogen peroxide (100 mL) followed byconcentrated aqueous ammonia solution (300 mL) The reaction mixture was stirred for 48 hours at r.t., then quenched with saturated aqueous sodium thiosulfate solution (800 mL). Removal of ethanol in vacuo provided a solid that was isolated by filtration and washed with water (2 x 200 mL) and diethyl ether (2 x 150 mL) to provide I-45a (31 g, 147 mmol). Yield for these twosteps, from reagent 4 to I-45a, was 64percent. ES I-MS (Mi-i): 211 calc. for C9H14N402: 210.1To the solution of 5-amino-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazole-4-carbonitrile (Intermediate P5) (2.515 g, 13.08 mmoL) in ethanoL (80 mL) the mixture of30percent hydrogen peroxide (28.343 mL, 274.76 mmoL) and 25percent ammonia water (55.147 ml, 588.77 mmoL) was added. The whole was stitrred at room temperature for 19 hours. The product was isolated by addition of aqueous solution of sodium thiosulphate and extraction with dichloromethane. After drying with magnesium sulphate and concentration, 1 .609 g of the titLe productas a coLorLess solid were obtained (yield 63.3percent).To a mixture of 5-amino-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazole-4-carbonitrile (2.3 g, 12 mmol) in EtOH (40 mL) were added H

Molecular Weight:210.23
XLogP3:-0.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:210.11167570
Monoisotopic Mass:210.11167570
Topological Polar Surface Area:96.2
Heavy Atom Count:15
Complexity:242
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes