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Ethyl Acetate → 6-Bromo-3,5-dimethylbenzo[d]isoxazole

HRID 1524233
ノート
印刷プレビュー

反応式

HRID 1524233 の反応式
C(O[N:5]=[C:6]([C:8]1[CH:13]=[C:12]([CH3:14])[C:11]([Br:15])=[CH:10][C:9]=1[OH:16])[CH3:7])(=O)C.CC(=O)OCC>C(Cl)Cl.CCCCCC>[Br:15][C:11]1[C:12]([CH3:14])=[CH:13][C:8]2[C:6]([CH3:7])=[N:5][O:16][C:9]=2[CH:10]=1
参加物実験手順出典と根拠反応ノート

参加物

5

反応物 2

HCID 8857Ethyl AcetateHCID 1363510592-(4-Bromo-2-hydroxy-5-methylphenyl)-1-azaprop-1-enyl acetate

生成物 1

HCID 584870706-Bromo-3,5-dimethylbenzo[d]isoxazole収率 23.3%

試薬・触媒・溶媒 2

HCID 6344Dichloromethane溶媒HCID 8058Hexane溶媒2 回

実験手順

A solution of hydroxylamine hydrochloride (400 mg, 5 8 mmol) in 1 ml water was added to a solution of NaOAc in 1 ml water. To the resulting solution was added 1-acetyl-4-bromo-2-hydroxy-5-methylbenzene (24) (1.14 g, 5 mmol) followed by addition of 15 ml EtOH. The reaction mixture was stirred at 80° C. for 1 h. After concentrated to half of it's volume, the reaction mixture was poured in to 60 ml ice-water. Precipitate formed was filtered, washed with water and dried to give 1.19 g (yield: 97.5%, purity>95%) 5-bromo-2-((hydroxyimino)ethyl)-4-methylphenol (25) as white solid. The above intermediate 25 (1.19 g, 4.875 mmol) was dissolved in 10 ml Ac2O, stirred at r.t. for 2 h and the reaction mixture turned to a white suspension. After filtration and wash with water 1.0 g 2-(4-bromo-2-hydroxy-5-methylphenyl)-1-azaprop-1-enyl acetate (26) were obtained. EA was added to the filtrate, washed with water. The org. phase was dried over sodium sulfate and concentrated to dryness to give another 370 mg of 26 as off-white solid. (total 1.37 g, yield: 98%, purity>95%). Neat 2-(4-bromo-2-hydroxy-5-methylphenyl)-1-azaprop-1-enyl acetate (26) (0.5 g, 1.748 mmol) was heated at 175° C. for 2 h then at 100° C. for 1 h. After cooling down to r.t., the dark brown solid was dissolved in DCM and subjected to silica gel flash chromatography (0-40% B, A: hexane; B: 50% EA in hexane) to give 6-bromo-3,5-dimethylbenz[d]isoxazole (27) (92 mg, yield: 23.3%; purity>95%) as yellow crystals.

出典と根拠

ORDレコード
ord-fc7bfc69e24242738f5079850f7eb66f
出典データセット
uspto-grants-2015_07
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US09079891B2

反応ノート

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