1-Phenyl-1H-pyrazole-4-carboxylic acid

Procedure: The sodium hydroxide is dissolved in 20 ml of water in a 100 ml three-necked reactor under nitrogen and with magnetic stirring. The pyrazole is then added in a single step. A persistent insoluble product is observed, even at a temperature of 45-50° C. The hydrogen peroxide is added to the suspension in 6 portions over 50 minutes. After 5 hours at 50° C., TLC monitoring makes it possible to observe that a substantial part of the substrate remains. 10 ml of 1N NaOH (0.4 g of NaOH) and 5 g of aqueous hydrogen peroxide are added. After stirring for a further hour at 50° C., the insoluble product has completely disappeared and TLC monitoring makes it possible to observe that the starting product has been entirely consumed (visualization: dinitrophenylhydrazine). The reaction medium brought back to ambient temperature is then added to 150 ml of an ice/2N HCl mixture (2/1). The white precipitate formed is filtered through a Buchner funnel after stirring for 30 minutes and washed 3 times with water. After having been resolubilized in 250 ml of ethyl acetate, dried over MgSO

Molecular Weight:188.18
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:188.058577502
Monoisotopic Mass:188.058577502
Topological Polar Surface Area:55.1
Heavy Atom Count:14
Complexity:214
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes