3-BROMOFLUORANTHENE

Preparation of Compound 2-1 [102] 50 g (247 mmol) of fluoranthene was dissolved in 1 L of nitrobenzene, and 12 mL (234.7 mmol) of bromine diluted with 200 mL of nitrobenzene was slowly added in droplets thereto. After the solution was completely added in droplets, the reaction solution was stirred at room temperature for 20 hours. The reaction solution was added with 500 mL of aqueous saturated sodium thiosulfate chloride so that the reaction was terminated. The mixture thus obtained was extracted with 3 L of EA and then washed with 1 L of distilled water. The resultant organic layer was dried with anhydrous MgSOPreparation of compound 1-2 [95] After dissolving compound 1-1 (50 g, 247.2 mmol) in MeCN (50mL) and adding N-bromosuccinimide (NBS) (44 g, 247.2 mmol), the reaction mixture was stirred for 1 day at room temperature. After terminating the reaction, the reaction mixture was extracted with ethyl acetate (EA), and the organic layer was concentrated and purified through silica column to obtain compound 1-2 (55.6 g, 80 percent).50 g (0.247 mol) of fluoranthene was placed in a 500 mL flask and 150 mL of MeCNDissolve. 48.4 g (0.272 mol) of NBS was slowly added at room temperature, and the mixture was stirred at room temperature for 18 hours. The reactionUpon completion, 30 mL of a small amount of MeCN is added and stirred, followed by filtration. The resulting solid was washed again with MeOH (1 L)(Yield: 75percent) of a yellow solid compound (Intermediate (10)).

Molecular Weight:281.15
XLogP3:5.6
Exact Mass:279.98876
Monoisotopic Mass:279.98876
Heavy Atom Count:17
Complexity:300
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes