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1-Methylimidazole → (1-Methyl-1H-imidazol-5-yl)(pyridin-3-yl)methanone

HRID 627480
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인쇄 미리보기

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HRID 627480 반응식
[CH3:1][N:2]1[CH:6]=[CH:5][N:4]=[CH:3]1.[Li]CCCC.CCCCCC.Cl[Si](CC)(CC)CC.CON(C)[C:29](=[O:36])[C:30]1[CH:35]=[CH:34][CH:33]=[N:32][CH:31]=1>C1COCC1>[CH3:1][N:2]1[C:6]([C:29]([C:30]2[CH:31]=[N:32][CH:33]=[CH:34][CH:35]=2)=[O:36])=[CH:5][N:4]=[CH:3]1
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참가 물질

7

반응물 5

HCID 13901-MethylimidazoleHCID 8058Hexane2회HCID 13819ChlorotriethylsilaneHCID 10558996N-Methoxy-N-methylnicotinamideHCID 178418339Butyllithium2회

생성물 1

HCID 82895938(1-Methyl-1H-imidazol-5-yl)(pyridin-3-yl)methanone

시약·촉매·용매 1

HCID 8028
Tetrahydrofuran
용매
2회

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온도
-78 °C

실험 절차

To a heat-gun dried flask containing 1-methyl-1H-imidazole (1.55 mL, 19.5 mmol) and THF (20 mL) at −78° C. was added 1.6 M n-BuLi in hexane (12.8 mL, 20.5 mmol). After stirring at −78° C. for 30 min, chlorotriethylsilane (3.3 mL, 19.7 mmol) in neat was introduced slowly. The mixture was stirred at −78° C. for 30 min. 1.6 M n-BuLi in hexane (12.8 mL, 20.5 mmol) was added, and the mixture was stirred for 45 min. A solution of N-methoxy-N-methylnicotinamide (2.70 g, 16.2 mmol, Intermediate 10, step a) in THF (20 mL) was added via cannula, and the mixture was stirred at −78° C. to room temperature for 2 hours. The reaction was quenched with NH4Cl (aqueous), the organic layer was separated, and the aqueous layer was extracted with CH2Cl2. The combined organic phases were dried (Na2SO4), filtered, concentrated, and purified by flash column chromatography (40 g silica gel column, 50-100% EtOAc in heptane, then 5-10% MeOH in CH2Cl2) to obtain the title compound as an off-white solid.

후처리

  1. customTo a heat-gun dried flask
  2. stirringThe mixture was stirred at −78° C. for 30 min
  3. stirringthe mixture was stirred for 45 min
  4. stirringthe mixture was stirred at −78° C. to room temperature for 2 hours
  5. customThe reaction was quenched with NH4Cl (aqueous)
  6. customthe organic layer was separated
  7. extractionthe aqueous layer was extracted with CH2Cl2
  8. dry with materialThe combined organic phases were dried (Na2SO4)
  9. filtrationfiltered
  10. concentrationconcentrated
  11. custompurified by flash column chromatography (40 g silica gel column, 50-100% EtOAc in heptane

출처 및 근거

ORD 기록
ord-eeb3e72309854c1481afc181307a9eb0
출처 데이터셋
uspto-grants-2016_04
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09309222B2

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