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Potassium Carbonate → N'-hydroxy-1-methyl-5-nitro-1H-pyrazole-3-carboximidamide

HRID 1748753
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HRID 1748753 반응식
[CH3:1][N:2]1[C:6]([N+:7]([O-:9])=[O:8])=[CH:5][C:4]([C:10]#[N:11])=[N:3]1.Cl.[NH2:13][OH:14].C(=O)([O-])[O-].[K+].[K+]>CCO>[OH:14][N:13]=[C:10]([C:4]1[CH:5]=[C:6]([N+:7]([O-:9])=[O:8])[N:2]([CH3:1])[N:3]=1)[NH2:11]
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참가 물질

5

반응물 3

HCID 11430Potassium CarbonateHCID 443297Hydroxyamine hydrochlorideHCID 508967171-methyl-5-nitro-1H-pyrazole-3-carbonitrile

생성물 1

HCID 136348433N'-hydroxy-1-methyl-5-nitro-1H-pyrazole-3-carboximidamide수율 67%

시약·촉매·용매 1

HCID 702Ethanol용매

실험 절차

To a solution of 1-methyl-5-nitro-1H-pyrazole-3-carbonitrile (2.4 g, 15.8 mmol, Princeton) and hydroxylamine hydrochloride (3.29 g, 47.3 mmol) in EtOH (0.50 mL) was added potassium carbonate (10.9 g, 79 mmol) and the mixture was refluxed for about 2 h. The reaction mixture was filtered hot and the collected solid was rinsed with EtOH (50 mL) and then MeOH (100 mL). The filtrate was concentrated under reduced pressure. The crude material was partitioned between DCM (40 mL) and water (20 mL). The aqueous layer was acidified to about pH 2 using 1 N HCl and back extracted with DCM (20 mL). The aqueous layer was basified using saturated NaHCO3 and the precipitate was collected by vacuum filtration and dried to afford N′-hydroxy-1-methyl-5-nitro-1H-pyrazole-3-carboximidamide (1.24 g, 4.49 mmol, 67%). LC-MS (Table 1, Method g) Rt=1.07 min, m/z 186 (M+H)+. 1H-NMR (DMSO-d6, Bruker 400 MHz) δ 9.78 (s, 1H), 7.22 (s, 1H), 5.71 (s, 2H), 4.16 (s, 3H).

후처리

  1. temperaturethe mixture was refluxed for about 2 h
  2. filtrationThe reaction mixture was filtered hot
  3. washthe collected solid was rinsed with EtOH (50 mL)
  4. concentrationThe filtrate was concentrated under reduced pressure
  5. customThe crude material was partitioned between DCM (40 mL) and water (20 mL)
  6. extractionback extracted with DCM (20 mL)
  7. filtrationthe precipitate was collected by vacuum filtration
  8. customdried

출처 및 근거

ORD 기록
ord-0b48984199de4a0694894b0d151c1a8d
출처 데이터셋
uspto-grants-2015_10
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09150592B2

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