Bromobenzene → HCID 54208904, compound
Reaction equation
Br[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.Cl[C:9]1[C:14]2[N:15]=[CH:16][O:17][C:13]=2[CH:12]=[CH:11][CH:10]=1>C1COCC1.[Cl-].[Zn+2].[Cl-].[Pd].C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)[P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1>[C:2]1([C:9]2[C:14]3[N:15]=[CH:16][O:17][C:13]=3[CH:12]=[CH:11][CH:10]=2)[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1Participants
Procedure
a 500 mL 2-neck round-bottomed flask was equipped with a reflux condenser and replaced by nitrogen. 70 mL of THF that was dried with 0.11 mol of Mg metal was added to the above flask and then, 0.10 mol of 1-bromobenzene was added in a dropwise fashion. The reaction was significantly exodermic and thus a cooling bath was equipped to reduce the temperature inside the reactor less than 50° C. It was agitated for 2 hours at room temperature, 0.11 mol of zinc chloride was added with 100 mL of THF, and further agitated for 2 hours to obtain a slurry-phase reaction mixture. Another flask was replaced by nitrogen and then 0.10 mol of 4-chlorobenzo[d]oxazole derivative, 0.10 mol of Pd, and 3 mol % of Pd(PPh3)4 were dissolved in 100 mL of THF. The prepared solution was added to the reaction mixture and then agitated 60° C. for 24 hours. After the reaction is complete, the resulting product was placed on a silica gel column to remove an inorganic slurry, and then a THF solution was concentrated under vacuum to obtain 4-phenylbenzo[d]oxazole using column chromatography at a yield of 89%.
Workup
- customa 500 mL 2-neck round-bottomed flask was equipped with a reflux condenser
- additionwas added to the above flask
- customthus a cooling bath was equipped
- custominside the reactor less than 50° C
- stirringfurther agitated for 2 hours
- customto obtain
- customa slurry-phase reaction mixture
- customAnother flask was replaced by nitrogen
- additionThe prepared solution was added to the reaction mixture
- stirringagitated 60° C. for 24 hours
- customto remove an inorganic slurry
- concentrationa THF solution was concentrated under vacuum
Sources & evidence
- ORD record
- ord-bee5a21a7c1643d7ac24efbcd6423ece
- Source dataset
- uspto-grants-2011_05
- Patent number
- US07939669B2
Reaction notes
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