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6-bromo-5-methyl-2H-benzo[b][1,4]oxazin-3(4H)-one → 6-Bromo-3,4-dihydro-5-methyl-2H-1,4-benzoxazine

HRID 1912608
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HRID 1912608 반응식
[Br:1][C:2]1[CH:3]=[CH:4][C:5]2[O:10][CH2:9][C:8](=O)[NH:7][C:6]=2[C:12]=1[CH3:13]>O1CCCC1>[Br:1][C:2]1[CH:3]=[CH:4][C:5]2[O:10][CH2:9][CH2:8][NH:7][C:6]=2[C:12]=1[CH3:13]
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참가 물질

3

반응물 1

HCID 592815236-bromo-5-methyl-2H-benzo[b][1,4]oxazin-3(4H)-one

생성물 1

HCID 595786626-Bromo-3,4-dihydro-5-methyl-2H-1,4-benzoxazine

시약·촉매·용매 1

HCID 8028Tetrahydrofuran용매2회

실험 절차

An ice cold mixture of 6-bromo-5-methyl-2H-1,4-benzoxazin-3(4H)-one (3.05 g, 12.59 mmol) in tetrahydrofuran (THF) (40 mL) was treated with borane tetrahydrofuran complex (1.0 M solution in tetrahydrofuran (18.88 mL, 18.88 mmol) and the mixture was stirred at ambient temperature for 150 minutes. The mixture was cooled to 0° C. and then quenched slowly with 1N NaOH (30 mL). The mixture was extracted with ethyl acetate, then washed with 1N NaOH, dried over sodium sulfate, filtered and then concentrated to a thick dark brown oil. The material was purified on silica gel (95:4:1 dichloromethane/methanol/ammonium hydroxide, gradient) to afford an off-white solid: 1H NMR (400 MHz, CHLOROFORM-d) δ ppm 6.87 (d, J=8.6 Hz, 1 H), 6.57 (d, J=8.8 Hz, 1 H), 4.31-4.15 (m, 2 H), 3.56-3.38 (m, 2 H), 2.22 (s, 3 H); LC/MS (m/z) ES+=228 (M+1).

후처리

  1. temperatureThe mixture was cooled to 0° C.
  2. customquenched slowly with 1N NaOH (30 mL)
  3. extractionThe mixture was extracted with ethyl acetate
  4. washwashed with 1N NaOH
  5. dry with materialdried over sodium sulfate
  6. filtrationfiltered
  7. concentrationconcentrated to a thick dark brown oil
  8. customThe material was purified on silica gel (95:4:1 dichloromethane/methanol/ammonium hydroxide, gradient)
  9. customto afford an off-white solid

출처 및 근거

ORD 기록
ord-b8f1e14531f940b28ab81ba3399cdad7
출처 데이터셋
uspto-grants-2013_12
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08609653B2

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