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Acetohydrazide → 3-methyl-5-phenyl-1H-1,2,4-triazole

HRID 1621125
ノート
印刷プレビュー

反応式

HRID 1621125 の反応式
Cl.[C:2](=[NH:12])(OCC)[C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][CH:4]=1.[O-]CC.[Na+].[C:17]([NH:20][NH2:21])(=O)[CH3:18]>CCO>[CH3:18][C:17]1[NH:20][N:21]=[C:2]([C:3]2[CH:8]=[CH:7][CH:6]=[CH:5][CH:4]=2)[N:12]=1
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 14039AcetohydrazideHCID 79249Benzenecarboximidic acid, ethyl ester, hydrochloride (1:1)HCID 2723922Sodium ethoxide

生成物 1

HCID 5943813-methyl-5-phenyl-1H-1,2,4-triazole

試薬・触媒・溶媒 1

HCID 702Ethanol溶媒

実験手順

To a suspension of ethyl benzimidate hydrochloride (2.0 g, 10.8 mmol) in EtOH (10 mL) was added sodium ethoxide (3.49 g, 4 mL, 10.8 mmol) at RT. The precipitated NaCl was filtrated off and washed with EtOH (14 mL). The filtrate was charged with acetohydrazide (880 mg, 11.9 mmol) and stirred at RT for 6 d. The crude reaction mixture was concentrated in vacuo. The crude product was suspended in NaOH (1M aqueous solution, 50 mL) and extracted with tert-butyl methyl ether (100 mL). The organic layer was washed with water (50 mL) and the aqueous layers were back-extracted with tert-butyl methyl ether (50 mL). After addition of dry ice to adjust the pH to 7, the organic layer appeared to contain almost no product and was discarded. The aqueous layer was adjusted to pH=7 by addition of HCl (25% aqueous solution) and extracted with dichloromethane (6×50 mL). The combined organic layer was dried over MgSO4 and concentrated in vacuo. The product was obtained after purification by flash chromatography (using silica gel and an ethyl acetate/hexane gradient) as white solid (154 mg, 9%).

後処理

  1. filtrationThe precipitated NaCl was filtrated off
  2. washwashed with EtOH (14 mL)
  3. customThe crude reaction mixture
  4. concentrationwas concentrated in vacuo
  5. extractionextracted with tert-butyl methyl ether (100 mL)
  6. washThe organic layer was washed with water (50 mL)
  7. extractionthe aqueous layers were back-extracted with tert-butyl methyl ether (50 mL)
  8. additionAfter addition of dry ice
  9. additionThe aqueous layer was adjusted to pH=7 by addition of HCl (25% aqueous solution)
  10. extractionextracted with dichloromethane (6×50 mL)
  11. dry with materialThe combined organic layer was dried over MgSO4
  12. concentrationconcentrated in vacuo
  13. customThe product was obtained
  14. customafter purification by flash chromatography (

出典と根拠

ORDレコード
ord-52ca24f111a14d3eb55e087045d4c92e
出典データセット
uspto-grants-2014_07
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08772510B2

反応ノート

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