Dichloromethane → 5-amino-1-(2-bromo-6-chlorophenyl)-1H-pyrazole-4-carbonitrile

HRID 1098191Notes

Reaction equation

HRID 1098191 reaction equation
Cl.[Br:2][C:3]1[CH:8]=[CH:7][CH:6]=[C:5]([Cl:9])[C:4]=1[NH:10][NH2:11].C(Cl)Cl.[OH-].[Na+].C(O[CH:20]=[C:21]([C:24]#[N:25])[C:22]#[N:23])C>CO>[NH2:25][C:24]1[N:10]([C:4]2[C:5]([Cl:9])=[CH:6][CH:7]=[CH:8][C:3]=2[Br:2])[N:11]=[CH:20][C:21]=1[C:22]#[N:23]

Participants

6

Procedure

(2-Bromo-6-chlorophenyl)hydrazine hydrochloride (Intermediate AH2) (4.71 g, 18.26 mmol) was partitioned between DCM (300 mL) and 2M NaOH (20 mL). Allowed to Stir for 1 hour. The two phases were separated. The organic phase was reduced under vacuum to give the free base. This was dissolved in MeOH (60 mL), and stirred in a cooling bath at 0° C. (Ethoxymethylene)malononitrile (2.230 g, 18.26 mmol) added portionwise. The reaction mixture was then allowed to warm to ambient temperature and stirred for 1 hour. The mixture was then heated to reflux and stirred for 16 hours. Allowed to cool to ambient temperature. The reaction mixture was concentrated to give a solid, which was triturated under MeOH. A solid was filtered off. This was dried to afford the product (4.59 g, 85%).

Workup

  1. customThe two phases were separated
  2. customto give the free base
  3. additionadded portionwise
  4. stirringstirred for 1 hour
  5. temperatureThe mixture was then heated
  6. temperatureto reflux
  7. stirringstirred for 16 hours
  8. temperatureAllowed to cool to ambient temperature
  9. concentrationThe reaction mixture was concentrated
  10. customto give a solid, which
  11. customwas triturated under MeOH
  12. filtrationA solid was filtered off
  13. customThis was dried

Sources & evidence

ORD record
ord-663a6e92740a46eb974d4d6c0a125b51
Source dataset
uspto-grants-2012_03
Patent number
US08143263B2

Reaction notes

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