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Ammonium Chloride → 4-((5-Chloro-furan-2-yl)-hydroxy-methyl)-benzonitrile

HRID 640237
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HRID 640237 반응식
I[C:2]1[CH:9]=[CH:8][C:5]([C:6]#[N:7])=[CH:4][CH:3]=1.C([Mg]Cl)(C)C.[Cl:15][C:16]1[O:20][C:19]([CH:21]=[O:22])=[CH:18][CH:17]=1.[Cl-].[NH4+]>C(OCC)(=O)C.O.O1CCCC1>[Cl:15][C:16]1[O:20][C:19]([CH:21]([OH:22])[C:2]2[CH:9]=[CH:8][C:5]([C:6]#[N:7])=[CH:4][CH:3]=2)=[CH:18][CH:17]=1
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참가 물질

8

반응물 4

HCID 25517Ammonium ChlorideHCID 764674-IodobenzonitrileHCID 27696305-Chloro-2-furaldehydeHCID 178418918HCID 178418918, 화합물

생성물 1

HCID 592551164-((5-Chloro-furan-2-yl)-hydroxy-methyl)-benzonitrile수율 105.4%

시약·촉매·용매 3

HCID 962Water용매
HCID 8028Tetrahydrofuran용매
HCID 8857Ethyl Acetate용매

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온도
0 °C

실험 절차

To a mixture of 4-iodobenzonitrile (3.0 g, 13 mmol) and tetrahydrofuran (40 mL) was added dropwise isopropyl magnesium chloride (1-2 M diethyl ether solution, 11 mL, 11-22 mmol) at −78° C., which was stirred for 1 hour at 0° C. The reaction mixture was cooled to −78° C., 5-chloro-2-furaldehyde (2.2 g, 17 mmol) was added at that temperature, and the temperature was gradually raised to 0° C. Following 30 minutes of stirring at 0° C., saturated aqueous ammonium chloride solution, water and ethyl acetate were added to extract the reaction mixture. The organic layer was washed successively with saturated aqueous sodium hydrogencarbonate solution and saturated aqueous sodium chloride, and the solvent was evaporated under a reduced pressure. Ethyl acetate was added to the residue, which was then filtered with NH silica gel. The filtrate was concentrated under a reduced pressure to obtain the title compound (3.2 g) as a crude product. This compound was used in the subsequent reaction without further purification.

후처리

  1. temperatureThe reaction mixture was cooled to −78° C.
  2. temperaturethe temperature was gradually raised to 0° C
  3. waitFollowing 30 minutes
  4. stirringof stirring at 0° C.
  5. extractionto extract the reaction mixture
  6. washThe organic layer was washed successively with saturated aqueous sodium hydrogencarbonate solution and saturated aqueous sodium chloride
  7. customthe solvent was evaporated under a reduced pressure
  8. additionEthyl acetate was added to the residue, which
  9. filtrationwas then filtered with NH silica gel
  10. concentrationThe filtrate was concentrated under a reduced pressure

출처 및 근거

ORD 기록
ord-22a6ef2a009b4b058d2a059e8ddbcf7e
출처 데이터셋
uspto-grants-2010_04
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07691882B2

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