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Methylamine → 5-Methyl-2-nitro-4,5,6,7-tetrahydropyrazolo[1,5-A]pyrazine

HRID 449682
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HRID 449682 반응식
Br[CH2:2][CH2:3][N:4]1[C:8]([CH2:9]Br)=[CH:7][C:6]([N+:11]([O-:13])=[O:12])=[N:5]1.[CH3:14][NH2:15]>O1CCCC1>[CH3:14][N:15]1[CH2:2][CH2:3][N:4]2[N:5]=[C:6]([N+:11]([O-:13])=[O:12])[CH:7]=[C:8]2[CH2:9]1
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참가 물질

4

반응물 2

HCID 6329MethylamineHCID 575020831-(2-bromoethyl)-5-(bromomethyl)-3-nitro-1H-pyrazole

생성물 1

HCID 580440245-Methyl-2-nitro-4,5,6,7-tetrahydropyrazolo[1,5-A]pyrazine수율 24.5%

시약·촉매·용매 1

HCID 8028Tetrahydrofuran용매

실험 절차

To a solution of 1-(2-bromoethyl)-5-(bromomethyl)-3-nitro-1H-pyrazole (469 mg, 1.5 mmol) in tetrahydrofuran (20 mL) was added methylamine (2.0M in tetrahydrofuran, 5.25 mL, 10.5 mmol) drop wise and the resulting mixture was stirred at room temperature for 76 h. The solution was concentrated and the resulting solid was stirred with a mixture of ethyl acetate (10 mL) and 10% aqueous potassium carbonate (10 mL). The layers were separated and the aqueous phase was extracted with ethyl acetate (2×30 mL). The organic layers were combined and dried over magnesium sulfate. The resulting mixture was filtered and reduced in volume in vacuo and the precipitate removed by filtration. The filtrate was concentrated and the residue purified by flash chromatography (silica gel, 12 g, 2% to 10% methanol in dichloromethane) to give 5-methyl-2-nitro-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrazine (67 mg, 24%) as a light yellow solid.

후처리

  1. concentrationThe solution was concentrated
  2. stirringthe resulting solid was stirred with a mixture of ethyl acetate (10 mL) and 10% aqueous potassium carbonate (10 mL)
  3. customThe layers were separated
  4. extractionthe aqueous phase was extracted with ethyl acetate (2×30 mL)
  5. dry with materialdried over magnesium sulfate
  6. filtrationThe resulting mixture was filtered
  7. customthe precipitate removed by filtration
  8. concentrationThe filtrate was concentrated
  9. customthe residue purified by flash chromatography (silica gel, 12 g, 2% to 10% methanol in dichloromethane)

출처 및 근거

ORD 기록
ord-968bd980060f4e62b98b92201825fb52
출처 데이터셋
uspto-grants-2013_07
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08481540B2

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