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Phosphorus oxychloride → 4-Chloro-5-nitropyrimidine

HRID 82533
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HRID 82533 반응식
[N+:1]([C:4]1[C:5](O)=[N:6][CH:7]=[N:8][CH:9]=1)([O-:3])=[O:2].P(Cl)(Cl)([Cl:13])=O>C(#N)C.C(OCC)(=O)C>[Cl:13][C:5]1[C:4]([N+:1]([O-:3])=[O:2])=[CH:9][N:8]=[CH:7][N:6]=1
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참가 물질

5

반응물 2

HCID 24813Phosphorus oxychlorideHCID 178526815HCID 178526815, 화합물

생성물 1

HCID 249037774-Chloro-5-nitropyrimidine수율 33%

시약·촉매·용매 2

HCID 6342Acetonitrile용매HCID 8857Ethyl Acetate용매2회

실험 절차

The mixture of 5-nitropyrimidin-4-ol (1.04 g) and phosphorus oxychloride (5.66 g) in acetonitrile (10 mL) was stirred at reflux for 2 h. After this time, the reaction mixture was cooled to ambient temperature, diluted with ethyl acetate (50 mL), and filtered and the filtrate was concentrated under reduced pressure. The residue obtained was diluted with ethyl acetate (100 mL), washed with saturated aqueous sodium bicarbonate (50 mL) then brine (50 mL), and filtered and the filtrate was concentrated under reduced pressure. The residue obtained was purified by chromatography (silica, heptane to 1:3 ethyl acetate/heptane) to afford 4-chloro-5-nitropyrimidine (383 mg, 33%) as a colorless oil.

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후처리

  1. temperatureat reflux for 2 h
  2. filtrationfiltered
  3. concentrationthe filtrate was concentrated under reduced pressure
  4. customThe residue obtained
  5. washwashed with saturated aqueous sodium bicarbonate (50 mL)
  6. filtrationbrine (50 mL), and filtered
  7. concentrationthe filtrate was concentrated under reduced pressure
  8. customThe residue obtained
  9. customwas purified by chromatography (silica, heptane to 1:3 ethyl acetate/heptane)

출처 및 근거

ORD 기록
ord-1bb60dda56d345e890c0c23052788277
출처 데이터셋
uspto-grants-2014_09
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08846713B2

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