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Dimethylformamide dimethyl acetal → Ethyl 1-(3-cyano-4-fluorophenyl)-5-(2-furyl)pyrazole-4-carboxylate

HRID 1250755
ノート
印刷プレビュー

反応式

HRID 1250755 の反応式
[O:1]1[CH:5]=[CH:4][CH:3]=[C:2]1[C:6](=O)[CH2:7][C:8]([O:10][CH2:11][CH3:12])=[O:9].COC(OC)[N:17]([CH3:19])C.[Sn](Cl)(Cl)(Cl)Cl.[F:27][C:28]1[CH:33]=[CH:32][C:31]([NH:34]N)=[CH:30][C:29]=1[C:36]#[N:37]>C1C=CC=CC=1.C(O)(=O)C>[C:36]([C:29]1[CH:30]=[C:31]([N:34]2[C:6]([C:2]3[O:1][CH:5]=[CH:4][CH:3]=3)=[C:7]([C:8]([O:10][CH2:11][CH3:12])=[O:9])[CH:19]=[N:17]2)[CH:32]=[CH:33][C:28]=1[F:27])#[N:37]
参加物反応条件実験手順後処理出典と根拠反応ノート

参加物

6

反応物 3

HCID 78373Dimethylformamide dimethyl acetalHCID 2759240Ethyl 3-(fur-2-yl)-3-oxopropanoateHCID 688056624-Fluoro-3-cyanophenylhydrazine tin chloride

生成物 1

HCID 22288791Ethyl 1-(3-cyano-4-fluorophenyl)-5-(2-furyl)pyrazole-4-carboxylate収率 39%

試薬・触媒・溶媒 2

HCID 176Acetic Acid溶媒
HCID 241
Benzene
溶媒

反応条件

温度
80 °C

実験手順

To a solution of ethyl 3-(2-furyl)-3-ketopropionate (2.1 g, 11.5 mmol) in 20 mL of benzene was added dimethylformamide dimethylacetal (2.3 mL, 17.3 mmol). The resulting solution was stirred at 80° C. for 2 h. The reaction was cooled, filtered through a pad of silica gel and concentrated in vacuo. A portion of the residue (0.60 g, 2.54 mmol) was dissolved in 20 mL of glacial acetic acid and then there was added 4-fluoro-3-cyanophenylhydrazine tin chloride (1.05 g, 2.8 mmol). The reaction mixture was stirred at 100° C. for 4 h. The reaction was allowed to cool to room temperature and the acetic acid was removed in vacuo. The residue was diluted with ethyl acetate and the organics were washed with saturated aq NaHCO3 and brine, dried (MgSO4) and concentrated. The residue was purified by flash chromatography (elution with gradient of 6:1→3:1 hexanes/ethyl acetate) to afford 0.32 g (39%) of the title compound. LRMS (ES+): 326.2 (M+H)+.

後処理

  1. temperatureThe reaction was cooled
  2. filtrationfiltered through a pad of silica gel
  3. concentrationconcentrated in vacuo
  4. stirringThe reaction mixture was stirred at 100° C. for 4 h
  5. temperatureto cool to room temperature
  6. customthe acetic acid was removed in vacuo
  7. additionThe residue was diluted with ethyl acetate
  8. washthe organics were washed with saturated aq NaHCO3 and brine
  9. dry with materialdried (MgSO4)
  10. concentrationconcentrated
  11. customThe residue was purified by flash chromatography (elution with gradient of 6:1→3:1 hexanes/ethyl acetate)

出典と根拠

ORDレコード
ord-d439d8a5024c40dd82f686dae3de5959
出典データセット
uspto-grants-2002_01
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US06339099B1

反応ノート

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