1,8-Diazabicyclo(5.4.0)undec-7-ene → 2-(3-fluoro-phenyl)-6-methoxy-pyrazolo[1,5-b]pyridazine-3-carboxylic Acid Methyl Ester

HRID 982644Notes

Reaction equation

HRID 982644 reaction equation
N12CCCN=C1CCCCC2.[CH3:12][O:13][C:14](=[O:24])[C:15]#[C:16][C:17]1[CH:22]=[CH:21][CH:20]=[C:19]([F:23])[CH:18]=1.C1(C)C=C(C)C=C(C)C=1S([O-])(=O)=O.[NH2:38][N+:39]1[CH:44]=[CH:43][CH:42]=[C:41]([O:45][CH3:46])[N:40]=1>C(#N)C>[CH3:12][O:13][C:14]([C:15]1[C:16]([C:17]2[CH:22]=[CH:21][CH:20]=[C:19]([F:23])[CH:18]=2)=[N:38][N:39]2[C:44]=1[CH:43]=[CH:42][C:41]([O:45][CH3:46])=[N:40]2)=[O:24]

Participants

5

Procedure

1,8-Diazabicyclo[5.4.0]undec-7-ene (5 ml) was added to a stirred, chilled, mixture of (3-fluoro-phenyl)-propynoic acid methyl ester (2.67 g) and 1-amino-3-methoxy-pyridazin-1-ium mesitylene sulphonate (4.89 g) in acetonitrile (80 ml) and the mixture was stirred at 0° for 1 hour then at ambient temperature for 18 hours. The mixture was concentrated in vacuo, and partitioned between ethyl acetate (150 ml) and water (150 ml). The aqueous phase was separated and further extracted with ethyl acetate (2×100 ml). The combined organic extracts were washed with water (2×50 ml), brine (25 ml), dried (MgSO4), filtered and evaporated in vacuo to give a solid which was triturated with anhydrous ether: petroleum ether (1:0.5) to give the title compound as a brown solid (2.4 g, 53%).

Workup

  1. temperaturechilled
  2. waitat ambient temperature for 18 hours
  3. concentrationThe mixture was concentrated in vacuo
  4. custompartitioned between ethyl acetate (150 ml) and water (150 ml)
  5. customThe aqueous phase was separated
  6. extractionfurther extracted with ethyl acetate (2×100 ml)
  7. washThe combined organic extracts were washed with water (2×50 ml), brine (25 ml)
  8. dry with materialdried (MgSO4)
  9. filtrationfiltered
  10. customevaporated in vacuo
  11. customto give a solid which
  12. customwas triturated with anhydrous ether: petroleum ether (1:0.5)

Sources & evidence

ORD record
ord-bfebd09484c84a589f621039e97214ea
Source dataset
uspto-grants-2005_03
Patent number
US06861429B2

Reaction notes

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