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Dimethylformamide → 4-Iodo-1-(2-((tetrahydro-2H-pyran-2-yl)oxy)ethyl)-1H-pyrazole

HRID 16017
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HRID 16017 반응식
[I:1][C:2]1[CH:3]=[N:4][NH:5][CH:6]=1.C([O-])([O-])=O.[Cs+].[Cs+].CN(C=O)C.Br[CH2:19][CH2:20][O:21][CH:22]1[CH2:27][CH2:26][CH2:25][CH2:24][O:23]1>O.CCOC(C)=O>[I:1][C:2]1[CH:3]=[N:4][N:5]([CH2:19][CH2:20][O:21][CH:22]2[CH2:27][CH2:26][CH2:25][CH2:24][O:23]2)[CH:6]=1
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참가 물질

7

반응물 4

HCID 6228DimethylformamideHCID 10796Cesium carbonateHCID 770224-IodopyrazoleHCID 866212-(2-Bromoethoxy)tetrahydro-2H-pyran

생성물 1

HCID 593418524-Iodo-1-(2-((tetrahydro-2H-pyran-2-yl)oxy)ethyl)-1H-pyrazole수율 87.1%

시약·촉매·용매 2

HCID 962Water
용매
HCID 8857Ethyl Acetate용매

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온도
23 °C

실험 절차

In a round bottom flask was added 4-iodopyrazole (10.22 g, 52.70 mmol), Cs2CO3 (20.6 g, 63.2 mmol), and anhydrous DMF (100 mL). The suspension was stirred at 23° C. for 5 min. 2-(2-bromoethoxy)tetrahydro-2H pyran (9.95 mL, 63.2 mmol) was added and the reaction was stirred at 70° C. for 16 hours. After cooling down, EtOAc (100 mL) and water (100 mL) was added to the reaction. The organic layer was collected, and the aqueous layer was extracted with EtOAc (3×100 mL). The combined organic layers were washed with water (3×100 mL), dried over Na2SO4, and concentrated to afford dark brown oil. The crude product was purified on a silica gel column eluting with ethyl acetate and hexanes to provide 4-iodo-1-[2-(tetrahydro-pyran-2-yloxy)-ethyl]-1H-pyrazole as yellow oil (14.78 g, 87% yield). 1H NMR (300 MHz, DMSO-d6) δ 7.89 (s, 1H) 7.52 (s, 1H) 4.47-4.56 (m, 1H) 4.25-4.35 (m, 2H) 3.81-3.96 (m, 1H) 3.66-3.75 (m, 1H) 3.45-3.57 (m, J=2.83 Hz, 1H) 3.32-3.40 (m, 1H) 1.34-1.71 (m, 6H).

후처리

  1. stirringthe reaction was stirred at 70° C. for 16 hours
  2. temperatureAfter cooling down
  3. customThe organic layer was collected
  4. extractionthe aqueous layer was extracted with EtOAc (3×100 mL)
  5. washThe combined organic layers were washed with water (3×100 mL)
  6. dry with materialdried over Na2SO4
  7. concentrationconcentrated
  8. customto afford dark brown oil
  9. customThe crude product was purified on a silica gel column
  10. washeluting with ethyl acetate and hexanes

출처 및 근거

ORD 기록
ord-c6f381056eac4b11b356f65efc6d58ea
출처 데이터셋
uspto-grants-2010_06
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07732604B2

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