홈MCP워크벤치Skills
홈워크벤치알림마이페이지
llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
  1. 홈
  2. /반응

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

HRID 1524233
노트
인쇄 미리보기

반응식

HRID 1524233 반응식
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
참가 물질실험 절차출처 및 근거반응 노트

참가 물질

5

반응물 2

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

생성물 1

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

시약·촉매·용매 2

HCID 6344Dichloromethane용매HCID 8058Hexane용매2회

실험 절차

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.

출처 및 근거

ORD 기록
ord-fc7bfc69e24242738f5079850f7eb66f
출처 데이터셋
uspto-grants-2015_07
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09079891B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차출처 및 근거반응 노트