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Imidazole → 3-(1H-imidazol-1-yl)benzonitrile

HRID 1597863
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HRID 1597863 반응식
F[C:2]1[CH:3]=[C:4]([CH:7]=[CH:8][CH:9]=1)[C:5]#[N:6].[NH:10]1[CH:14]=[CH:13][N:12]=[CH:11]1.C([O-])([O-])=O.[K+].[K+].[I-].[K+]>[Cu].CN(C=O)C>[N:10]1([C:2]2[CH:3]=[C:4]([CH:7]=[CH:8][CH:9]=2)[C:5]#[N:6])[CH:14]=[CH:13][N:12]=[CH:11]1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

7

반응물 4

HCID 795ImidazoleHCID 4875Potassium IodideHCID 11430Potassium CarbonateHCID 678803-Fluorobenzonitrile

생성물 1

HCID 49612723-(1H-imidazol-1-yl)benzonitrile수율 47.1%

시약·촉매·용매 2

HCID 23978Copper촉매
HCID 6228
Dimethylformamide
용매

실험 절차

A mixture of 3-fluorobenzonitrile (18 ml, 168.38 mmol), imidazole (11.46 g), K2CO3 (25.59 g), copper (1.75 g), potassium iodide (1.75 g) and DMF (125 ml) was refluxed overnight. The reaction mixture was cooled to room temperature and poured into ice/water (600 ml). A precipitate formed, which was collected by filtration, washed with water, dissolved in ethanol (25 ml)/CHCl3 (500 ml) and filtered. The filtrates were partitioned in water, the organic layer was separated, dried over MgSO4 and stripped. The residue was combined with the product from another experimental run and was recrystallized from CHCl3 /hexanes to afford 13.4 g of 3-(1-imidazolyl)benzonitrile.

후처리

  1. temperaturewas refluxed overnight
  2. customA precipitate formed
  3. filtrationwhich was collected by filtration
  4. washwashed with water
  5. dissolutiondissolved in ethanol (25 ml)/CHCl3 (500 ml)
  6. filtrationfiltered
  7. customThe filtrates were partitioned in water
  8. customthe organic layer was separated
  9. dry with materialdried over MgSO4
  10. customwas recrystallized from CHCl3 /hexanes

출처 및 근거

ORD 기록
ord-bf909b1aa5c94c218cfbcbc1d7a09b44
출처 데이터셋
uspto-grants-1998_04
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US05736548

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