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Sulfuric Acid → 5-(3,4-Dimethoxyphenyl)-4,4-dimethyl-2-piperidin-4-yl-2,4-dihydro-3H-pyrazol-3-one

HRID 1914219
Notes
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Reaction equation

HRID 1914219 reaction equation
[H-].[Na+].[CH3:3][O:4][C:5]1[CH:6]=[C:7]([C:13]2[C:14]([CH3:20])([CH3:19])[C:15](=[O:18])[NH:16][N:17]=2)[CH:8]=[CH:9][C:10]=1[O:11][CH3:12].CC1C=CC(S(O[CH:32]2[CH2:37][CH2:36][N:35](C(OC(C)(C)C)=O)[CH2:34][CH2:33]2)(=O)=O)=CC=1.C1(C)C(S([O-])(=O)=O)=CC=CC=1.[Na+].OS(O)(=O)=O>CN(C=O)C.C(O)C>[CH3:3][O:4][C:5]1[CH:6]=[C:7]([C:13]2[C:14]([CH3:20])([CH3:19])[C:15](=[O:18])[N:16]([CH:32]3[CH2:37][CH2:36][NH:35][CH2:34][CH2:33]3)[N:17]=2)[CH:8]=[CH:9][C:10]=1[O:11][CH3:12]
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

8

Reactant 5

HCID 1118Sulfuric AcidHCID 24758Sodium hydrideHCID 139106133-(3,4-dimethoxyphenyl)-4,4-dimethyl-1H-pyrazol-5(4H)-one2×HCID 157347131-(tert-Butoxycarbonyl)-4-(p-toluenesulfonyloxy)piperidine2×HCID 23681382Sodium 2-methylbenzenesulfonate

Product 1

HCID 66616407
5-(3,4-Dimethoxyphenyl)-4,4-dimethyl-2-piperidin-4-yl-2,4-dihydro-3H-pyrazol-3-one

Reagents, catalysts & solvents 2

HCID 702EthanolSolventHCID 6228DimethylformamideSolvent2×

Procedure

20 g NaH (60% in mineral oil) is suspended in 500 ml of dry DMF under a blanket of dry nitrogen. 124 g 5-(3,4-dimethoxyphenyl)-4,4-dimethyl-2,4-dihydro-3H-pyrazol-3-one (compound C1) is added in portions and stirred for an additional 30 min at RT. The solution becomes slightly yellow. 168 g tert-butyl 4-{[(4-methylphenyl)sulfonyl]oxy}piperidine-1-carboxylate (compound E1) in 150 ml of DMF is added in one portion and the mixture is placed in a preheated oil bath (140° C.) and heated for 1.0 hr. The mixture is cooled to 50° C. (part of the sodium toluenesulfonate crystallizes) 1000 ml of water is added and the mixture is extracted with 200 ml of ethyl acetate (five times). The combined organic layers are washed with 100 ml of water (five times), 50 ml of brine, dried over MgSO4 and concentrated in vacuo. The oil obtained is dissolved in 300 ml of ethanol and 300 ml of 1M H2SO4 is added and heated at reflux for 60 min. The ethanol is removed in vacuo, 200 ml of water is added and washed with 100 ml DCM (five times). The aqueous layer is basified with 40 g NaOH in 250 ml water and extracted with 200 ml of dichloromethane (three times), dried over MgSO4 and concentrated in vacuo. The oil is suspended in 300 ml of ethanol with 30 ml of concentrated hydrochloric acid and heated until it dissolves. Cooling in ice causes precipitation. The collected precipitates are dried resulting in the hydrochloride salt of the title compound. (compound B1*HCl)

Workup

  1. customthe mixture is placed in a preheated oil bath
  2. temperature(140° C.) and heated for 1.0 hr
  3. customcrystallizes) 1000 ml of water
  4. additionis added
  5. extractionthe mixture is extracted with 200 ml of ethyl acetate (five times)
  6. washThe combined organic layers are washed with 100 ml of water (five times), 50 ml of brine
  7. dry with materialdried over MgSO4
  8. concentrationconcentrated in vacuo
  9. customThe oil obtained
  10. temperatureheated
  11. temperatureat reflux for 60 min
  12. customThe ethanol is removed in vacuo, 200 ml of water
  13. additionis added
  14. washwashed with 100 ml DCM (five times)
  15. extractionextracted with 200 ml of dichloromethane (three times)
  16. dry with materialdried over MgSO4
  17. concentrationconcentrated in vacuo
  18. temperatureheated until it
  19. dissolutiondissolves
  20. temperatureCooling in ice
  21. customprecipitation
  22. customThe collected precipitates
  23. customare dried

Sources & evidence

ORD record
ord-91d6f4e2eaea401e81a65dfeb8f47b71
Source dataset
uspto-grants-2013_12
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US08609848B2

Reaction notes

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On this pageParticipantsProcedureWorkupSources & evidenceReaction notes