1-(3-Bromophenyl)-3,5-dimethyl-1H-pyrazole

A solution of (3-bromophenyl)hydrazine hydrochloride (available from Reddy & Reddy) (45 g, 200 mmol) and pentane-2, 4-dione (Aldrich) (30.2 g, 302 mmol) in DCM (225 mL) was treated dropwise with cone. HIn a 50 mL reaction flask 3-bromophenylhydrazine 2 (1.40 g, 7.5 mmol) was added, Acetylacetone 3a (1.00 g, 10.0 mmol) and 10 mL of ethanol were added and the reaction was stirred at 65 ° C for 6 hours. anti- At the end of this time, the mixture was allowed to cool to room temperature, the volatile components were removed under reduced pressure and the residue was purified by silica gel column Chromatography (eluent petroleum ether (60-90 ° C) / ethyl acetate, v / v = 30: 1) gave To a yellow liquid product 4a (1.52 g, yield 81percent). The target product passes the nuclear magnetic resonance spectrum Confirmed.

Molecular Weight:251.12
XLogP3:3.4
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:250.01056
Monoisotopic Mass:250.01056
Topological Polar Surface Area:17.8
Heavy Atom Count:14
Complexity:198
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes