Water → HCID 178510693, compound

HRID 1463232Notes

Reaction equation

HRID 1463232 reaction equation
F[C:2]1[N:7]=[C:6]2[NH:8][N:9]=[C:10]([C:11]#[N:12])[C:5]2=[CH:4][CH:3]=1.[NH:13]1[CH2:19][CH2:18][CH2:17][NH:16][CH2:15][CH2:14]1.O>CN1CCCC1=O>[N:13]1([C:2]2[N:7]=[C:6]3[NH:8][N:9]=[C:10]([C:11]#[N:12])[C:5]3=[CH:4][CH:3]=2)[CH2:19][CH2:18][CH2:17][NH:16][CH2:15][CH2:14]1

Participants

5

Reactant 3

HCID 962WaterHCID 68163Hexahydro-1,4-diazepineHCID 178510692HCID 178510692, compound

Product 1

HCID 178510693HCID 178510693, compound

Reagents, catalysts & solvents 1

HCID 13387N-methyl-2-pyrrolidoneSolvent

Procedure

6-Fluoro-1H-pyrazolo[3,4-b]pyridine-3-carbonitrile (1.62 g, 10.0 mmole) was dissolved in 20 mL of N-methylpyrrolidone. Hexahydro-1H-1,4-diazepine (5.0 g, 50.0 mmole) was added and then the reaction mixture was warmed for 2 hours at 80°. It was poured into H2O and then the product was filtered off and recrystallized from MeOH-H2O to give 1.32 g (54.5%) of analytically pure product, mp 196°-197°.

Workup

  1. temperaturethe reaction mixture was warmed for 2 hours at 80°
  2. filtrationthe product was filtered off
  3. customrecrystallized from MeOH-H2O
  4. customto give 1.32 g (54.5%) of analytically pure product, mp 196°-197°

Sources & evidence

ORD record
ord-c1068d0b9c2245e79b03531c964de2d3
Source dataset
uspto-grants-1994_04
Patent number
US05300498

Reaction notes

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