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Sodium ethoxide → 2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

HRID 241549
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HRID 241549 반응식
CN([CH:4]=[C:5]1[C:9](=O)[CH2:8][N:7](C(OC(C)(C)C)=O)[CH2:6]1)C.[O-]CC.[Na+].[F:22][C:23]([F:28])([F:27])[C:24]([NH2:26])=[NH:25]>C(O)C.C(OCC)(=O)C.Cl>[F:22][C:23]([F:28])([F:27])[C:24]1[N:26]=[CH:4][C:5]2[CH2:6][NH:7][CH2:8][C:9]=2[N:25]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

7

반응물 3

HCID 2723922Sodium ethoxideHCID 2776882TrifluoroacetamidineHCID 53415260tert-Butyl 3-[(dimethylamino)methylidene]-4-oxopyrrolidine-1-carboxylate

생성물 1

HCID 341759412-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

시약·촉매·용매 3

HCID 313Hydrochloric Acid용매HCID 702
Ethanol
용매
HCID 8857Ethyl Acetate용매

실험 절차

To a solution of the product from Step A (500 mg) in anhydrous ethanol (25 mL) was added sodium ethoxide (2.33 mL, 21% in ethanol). After stirring for 5 min, trifluoroacetamidine (700 mg) was added and the resulting mixture was heated to reflux for 1 h. The reaction mixture was cooled to room temperature and diluted with ethyl acetate. The organic layer was washed sequentially with 5% aqueous citric acid solution and brine, dried over anhydrous sodium sulfate, filtered and concentrated to give a crude product which was deprotected by dissolving in 1N methanolic hydrogen chloride for 1 h. The resulting solution was concentrated and chromatographed on a Biotage® system (silica gel cartridge, gradient from 10% to 18% of 10% concentrated aqueous ammonium hydroxide in methanol/dichloromethane) to yield the title compound. LC-MS=190.0 (M+1).

후처리

  1. temperaturethe resulting mixture was heated
  2. temperatureto reflux for 1 h
  3. washThe organic layer was washed sequentially with 5% aqueous citric acid solution and brine
  4. dry with materialdried over anhydrous sodium sulfate
  5. filtrationfiltered
  6. concentrationconcentrated
  7. customto give a crude product which
  8. concentrationThe resulting solution was concentrated
  9. customchromatographed on a Biotage® system (silica gel cartridge, gradient from 10% to 18% of 10% concentrated aqueous ammonium hydroxide in methanol/dichloromethane)

출처 및 근거

ORD 기록
ord-52c5c92c93174736945227ebfe3afa60
출처 데이터셋
uspto-grants-2014_02
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08653059B2

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