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Ethanol → [1,2,4]Triazolo[1,5-a]pyrazin-2-amine

HRID 593034
Notes
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Reaction equation

HRID 593034 reaction equation
[N:1]1[CH:6]=[CH:5][N:4]=[CH:3][C:2]=1[NH:7][C:8]([NH:10]C(=O)OCC)=S.Cl.NO.CC[N:21](C(C)C)C(C)C.C(O)C>CO>[N:7]1[C:8]([NH2:10])=[N:21][N:1]2[CH:6]=[CH:5][N:4]=[CH:3][C:2]=12
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

6

Reactant 4

HCID 702EthanolHCID 81531DiisopropylethylamineHCID 443297Hydroxyamine hydrochlorideHCID 15619487Ethyl N-[(Pyrazin-2-yl)carbamothioyl]carbamate

Product 1

HCID 13033266[1,2,4]Triazolo[1,5-a]pyrazin-2-amineYield 92%

Reagents, catalysts & solvents 1

HCID 887
Methanol
Solvent

Conditions

Temperature
65 °C

Procedure

A 250-mL single-neck round-bottomed flask equipped with a magnetic stirrer and a reflux condenser was charged with 270a (6.00 g, 26.43 mmol, 1.0 eq.), hydroxylamine hydrochloride (3.32 g, 47.52 mmol, 1.8 eq.), DIPEA (12 mL), ethanol (40 mL), and methanol (40 mL). The reaction mixture was stirred at 65° C. for 16 hours. After the reaction was complete, it was cooled to room temperature and concentrated to a volume of around 20 mL under reduced pressure. The resulting suspension was collected by filtration and the solid was washed with 60:1 dichloromethane/ethanol (50 mL) to afford 270b (3.3 g, 92%) as a white solid. MS-ESI:[M+H]+ 136.3. 1H NMR (500 MHz, DMSO-d6) δ 8.84 (d, J=1.0 Hz, 1H), 8.70 (dd, J=1.0, 4.0 Hz, 1H), 7.98 (d, J=5.0 Hz, 1H), 6.47 (s, 2H).

Workup

  1. customA 250-mL single-neck round-bottomed flask equipped with a magnetic stirrer and a reflux condenser
  2. temperatureit was cooled to room temperature
  3. concentrationconcentrated to a volume of around 20 mL under reduced pressure
  4. filtrationThe resulting suspension was collected by filtration
  5. washthe solid was washed with 60:1 dichloromethane/ethanol (50 mL)

Sources & evidence

ORD record
ord-99a25802158d412b8fa17933b7b8bd19
Source dataset
uspto-grants-2016_01
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US09238655B2

Reaction notes

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On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes