4-Chloropyrazole

White to light yellow crystalline powder

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 KHSOEXAMPLE 34 g (0.5 mol) of pyrazole were suspended in 100 ml of water. 425 g (0.5 mol) of an aqueous 8.7% strength by weight NaOCl solution were added dropwise with continuous stirring in such a way that the temperature of the reaction mixture did not exceed 30 C. The reaction was monitored by HPLC analysis. After the reaction had ended, 35% strength sulfuric acid was added, and the mixture was extracted at pH 11 with 300 ml of ethyl acetate. The combined organic phases were dried and the solvent was removed under reduced pressure, leaving the Synthesis of 4-Chloro-1H-pyrazole To a solution of pyrazole (0.5 g, 7.34 mmol) in glacial acetic acid (4 mL) was added NaOCl (0.55 g, 7.34 mmol). The reaction mixture was left at room temperature for 18 h, then neutralized with saturated Na2CO3 solution, extracted with CH2Cl2 (2*25 mL), the combined organic layers evaporated, then diluted with NaOH, and further extracted with CH2Cl2 (3*20 mL). The organic extracts were combined, dried over Na2SO4 and evaporated to give the title compound as a white solid.Under a protective gas atmosphere, 200 mg (0.44 mmol) of 2-[2-bromo-5-(ethylsulfonyl)-1-methyl-1H-imidazol-4-yl]-3-methyl-6-(trifluoromethyl)-3H-imidazo[4, 5-c]pyridine (I-004), 45 mg (0.44 mmol) of

Molecular Weight:102.52
XLogP3:0.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:101.9984758
Monoisotopic Mass:101.9984758
Topological Polar Surface Area:28.7
Heavy Atom Count:6
Complexity:48.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes