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Dimethylformamide → 4-nitro-1H-pyrazole-5-carboxamide

HRID 855596
ノート
印刷プレビュー

反応式

HRID 855596 の反応式
[N+:1]([C:4]1[CH:8]=[N:7][NH:6][C:5]=1[C:9]([OH:11])=O)([O-:3])=[O:2].C(Cl)(=O)C(Cl)=O.C[N:19](C)C=O>ClCCl>[N+:1]([C:4]1[CH:8]=[N:7][NH:6][C:5]=1[C:9]([NH2:19])=[O:11])([O-:3])=[O:2]
参加物実験手順後処理出典と根拠反応ノート

参加物

5

反応物 3

HCID 6228DimethylformamideHCID 65578Oxalyl chlorideHCID 2197394-Nitro-1H-pyrazole-3-carboxylic acid

生成物 1

HCID 5419724-nitro-1H-pyrazole-5-carboxamide

試薬・触媒・溶媒 1

HCID 6344Dichloromethane溶媒

実験手順

4-Nitro-2H-pyrazole-3-carboxylic acid (2.72 g, 17.4 mmol) was added to a solution of oxalyl chloride (2.42 mL, 27.7 mmol) and N,N-dimethylformamide (80 μL) in dichloromethane (45 mL) and the reaction mixture stirred at room temperature for 2 hours. The reaction mixture was concentrated in vacuo and azeotroped from dichloromethane (3×100 mL). The crude product was dissolved in tetrahydrofuran, cooled in an ice bath, and treated with 0.880 ammonia solution (20 mL). The reaction mixture was stirred at room temperature for 18 hours then concentrated in vacuo and the residue partitioned between dichloromethane (300 mL) and water (100 mL). The organic layer was separated, dried over magnesium sulphate and concentrated in vacuo to yield the title product. LRMS ES+m/z 157 [MH]+

後処理

  1. concentrationThe reaction mixture was concentrated in vacuo
  2. customazeotroped from dichloromethane (3×100 mL)
  3. dissolutionThe crude product was dissolved in tetrahydrofuran
  4. temperaturecooled in an ice bath
  5. additiontreated with 0.880 ammonia solution (20 mL)
  6. stirringThe reaction mixture was stirred at room temperature for 18 hours
  7. concentrationthen concentrated in vacuo
  8. customthe residue partitioned between dichloromethane (300 mL) and water (100 mL)
  9. customThe organic layer was separated
  10. dry with materialdried over magnesium sulphate
  11. concentrationconcentrated in vacuo

出典と根拠

ORDレコード
ord-99bc1a503eb84b7689f8f43c175456ae
出典データセット
uspto-grants-2007_08
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07262192B2

反応ノート

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