4-Bromo-3-phenyl-1H-pyrazole

Reference Example 1104-Bromo-3-phenyl-1H-pyrazole A solution of 3-phenyl-1H-pyrazole (4.08 g, 28.3 mmol) and NBS (5.04 g, 28.3 mmol) in DMF (40 mL) was stirred for 1 h at room temperature. The reaction mixture was poured into water and extracted with AcOEt. The extract was washed with water and brine, dried over MgSOA solution of 3-phenyl-lη-pyrazole (2.98 g, 20.67 mmol) in anhydrous N, N- dimethylformamide (40 ml) was treated with N-bromosuccinimide (3.68 g, 20.67 mmol) in one portion and then stirred at room temperature for 1 h. The reaction was evaporated under reduced pressure and the resulting residue was dissolved in ethanol (15 ml) and diluted with water (100 ml) to precipitate the crude product. The solids were collected by filtration and dried via air suction. The product was purified by recrystallization from acetonitrile- water to give the title compound (4.19 g, 91 percent) as a white solid. MS(ES)+ m/e 224 [M+H]General procedure: 1-benzyl-4-chloro-3, 5-dimethyl-1H-pyrazole. To a 16 mL vial containing 1-benzyl-3, 5-dimethyl-1H-pyrazole (196 mg, 1.05 mmol) and a magnetic stir bar, 0.7 mL of water and 0.3 mL of ethyl acetate was added. Next, NaCl (123 mg, 2 mmol) was added and the vial was placed in a room temperature water bath to control exotherms. Finally, Oxone (322 mg, 0.52 mmol or 1.05 mmol KHSO

Molecular Weight:223.07
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:221.97926
Monoisotopic Mass:221.97926
Topological Polar Surface Area:28.7
Heavy Atom Count:12
Complexity:146
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes