HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.8.0
  1. Home
  2. /Reaction

Thionyl Chloride → 1-(4-Benzylpiperazin-1-yl)-3-methylpyrrolidin-2-one

HRID 20227
Notes
Print preview

Reaction equation

HRID 20227 reaction equation
[CH3:1][CH:2]1[CH2:6][CH2:5][O:4][C:3]1=O.S(Cl)(Cl)=O.[CH2:12]([N:19]1[CH2:24][CH2:23][N:22]([NH2:25])[CH2:21][CH2:20]1)[C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1.[H-].[Na+]>C1COCC1.[Cl-].[Zn+2].[Cl-]>[CH2:12]([N:19]1[CH2:20][CH2:21][N:22]([N:25]2[CH2:5][CH2:6][CH:2]([CH3:1])[C:3]2=[O:4])[CH2:23][CH2:24]1)[C:13]1[CH:14]=[CH:15][CH:16]=[CH:17][CH:18]=1
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

7

Reactant 4

HCID 24386Thionyl ChlorideHCID 24758Sodium hydrideHCID 98323alpha-MethylbutyrolactoneHCID 121984534-Benzylpiperazin-1-amine

Product 1

HCID 684177481-(4-Benzylpiperazin-1-yl)-3-methylpyrrolidin-2-oneYield 37%

Reagents, catalysts & solvents 2

HCID 3007855
Zincchloride
Catalyst
HCID 8028TetrahydrofuranSolvent

Conditions

Temperature
80 °C

Procedure

A mixture of 3-methyldihydrofuran-2(3H)-one (2.0 g), thionyl chloride (1.5 ml) and zinc chloride (10 mg) was stirred at 80° C. for 15 hours. The mixture was cooled to room temperature, and the reaction mixture was added dropwise to a solution of 4-benzylpiperazin-1-amine (3.8 g) in THF (50 mL) at 0° C., followed by stirring at 0° C. for 2 hours. Sodium hydride (60% in oil; 2.4 g) was added thereto and the mixture was stirred at room temperature for 15 hours. Ice was added thereto, and then the reaction mixture was concentrated under reduced pressure. The residue was diluted with water, and extracted with dichloromethane. The extract was dried over anhydrous sodium sulfate, and the solvent was distilled off under reduced pressure. The residue obtained was purified by basic silica gel column chromatography (ethyl acetate/hexane=1/5) to obtain the title compound (2.0 g, 37%) as a yellow oil.

Workup

  1. temperatureThe mixture was cooled to room temperature
  2. stirringby stirring at 0° C. for 2 hours
  3. stirringthe mixture was stirred at room temperature for 15 hours
  4. additionIce was added
  5. concentrationthe reaction mixture was concentrated under reduced pressure
  6. additionThe residue was diluted with water
  7. extractionextracted with dichloromethane
  8. dry with materialThe extract was dried over anhydrous sodium sulfate
  9. distillationthe solvent was distilled off under reduced pressure
  10. customThe residue obtained
  11. customwas purified by basic silica gel column chromatography (ethyl acetate/hexane=1/5)

Sources & evidence

ORD record
ord-7a115c64888a4ebcb4f269e186d5cbbd
Source dataset
uspto-grants-2010_06
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US07745623B2

Reaction notes

Loading…

On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes