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Sulfuric Acid → Ethyl 2-[2-(acetylamino)pyridin-4-yl]-4-hydroxy-1,3-thiazole-5-carboxylate

HRID 1530003
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HRID 1530003 반응식
[C:1]([C:4]1[CH:9]=[CH:8][N:7]=[C:6]([NH:10][C:11](=[O:13])[CH3:12])[CH:5]=1)(=[S:3])[NH2:2].Cl[CH:15]([C:21](=[O:28])C1C=CC=CC=1)[C:16]([O:18][CH2:19][CH3:20])=[O:17].S(=O)(=O)(O)O>CC(O)C.[Br-].C([N+](CCCC)(CCCC)CCCC)CCC.C(OCC)(=O)C.C(=O)(O)[O-].[Na+].C(OC(=O)C)(=O)C>[C:11]([NH:10][C:6]1[CH:5]=[C:4]([C:1]2[S:3][C:15]([C:16]([O:18][CH2:19][CH3:20])=[O:17])=[C:21]([OH:28])[N:2]=2)[CH:9]=[CH:8][N:7]=1)(=[O:13])[CH3:12]
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참가 물질

9

반응물 3

HCID 1118Sulfuric AcidHCID 9855991Ethyl 2-chloro-3-oxo-3-phenylpropanoateHCID 58095134N-(4-carbamothioylpyridin-2-yl)acetamide

생성물 1

HCID 136376959Ethyl 2-[2-(acetylamino)pyridin-4-yl]-4-hydroxy-1,3-thiazole-5-carboxylate수율 31%

시약·촉매·용매 5

HCID 74236Tetrabutylammonium Bromide촉매
HCID 3776
Isopropanol
용매
HCID 7918Acetic Anhydride용매
HCID 8857Ethyl Acetate용매
HCID 516892Sodium Bicarbonate용매

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온도
90 °C

실험 절차

To a suspension of N-(4-carbamothioylpyridin-2-yl)acetamide (15 g, 77 mmol) produced in the same manner as in Example 1(ii) in 2-propanol (136 mL) was added ethyl 2-chloro-3-oxo-3-phenylpropanoate, and the mixture was stirred with heating at 90° C. for 12 hr. Tetrabutylammonium bromide (1.2 g, 3.9 mmol) was added to the reaction solution, and the mixture was further stirred with heating at the same temperature for 10 hr. The reaction mixture was cooled to room temperature and diluted with ethyl acetate (200 mL), and saturated aqueous sodium bicarbonate solution (200 mL) was added. The resulting solid was collected by filtration, and washed with water (200 mL), ethanol (100 mL) and diethyl ether (100 mL×2). The obtained crude product was suspended in acetic anhydride (150 mL), concentrated sulfuric acid (0.05 mL) was added, and the mixture was heated under reflux at 120° C. for 2 hr. The reaction mixture was cooled to room temperature, and acetic anhydride was evaporated under reduced pressure. The residue was suspended in methanol (50 mL), and after stirring, methanol was evaporated under reduced pressure. The obtained residue was suspended in tetrahydrofuran (300 mL), 25% aqueous ammonia solution (150 mL) was added, and the mixture was stirred at room temperature for 1 hr. To the reaction mixture was added methanol (100 mL), and the mixture was further stirred at room temperature for 30 min. The resulting solid was collected by filtration, and washed with water (100 mL) and diethyl ether (100 mL) to give the title compound (7.4 g, 31%) as a yellow solid. The combined filtrate and washing solution was concentrated under reduced pressure, the resulting yellow solid was collected by filtration, and washed with water (500 mL), ethanol (100 mL) and diethyl ether (200 mL) to give a second crop (2.9 g, 12%) of the title compound as a yellow solid.

후처리

  1. stirringthe mixture was further stirred
  2. temperaturewith heating at the same temperature for 10 hr
  3. temperatureThe reaction mixture was cooled to room temperature
  4. additionwas added
  5. filtrationThe resulting solid was collected by filtration
  6. washwashed with water (200 mL), ethanol (100 mL) and diethyl ether (100 mL×2)
  7. customThe obtained crude product
  8. temperaturethe mixture was heated
  9. temperatureunder reflux at 120° C. for 2 hr
  10. temperatureThe reaction mixture was cooled to room temperature
  11. customacetic anhydride was evaporated under reduced pressure
  12. stirringafter stirring
  13. custommethanol was evaporated under reduced pressure
  14. addition25% aqueous ammonia solution (150 mL) was added
  15. stirringthe mixture was stirred at room temperature for 1 hr
  16. additionTo the reaction mixture was added methanol (100 mL)
  17. stirringthe mixture was further stirred at room temperature for 30 min
  18. filtrationThe resulting solid was collected by filtration
  19. washwashed with water (100 mL) and diethyl ether (100 mL)

출처 및 근거

ORD 기록
ord-4a1a63e31aa84c1ba0ede35bf8a6b0c9
출처 데이터셋
uspto-grants-2015_07
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09090601B2

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