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

Methanol → 4-(4-fluorophenyl)-N-methylbutyramide

HRID 2304922
Notes
Print preview

Reaction equation

HRID 2304922 reaction equation
[CH3:1][N:2](C)CCCN=C=NCC.[F:12][C:13]1[CH:18]=[CH:17][C:16]([CH2:19][CH2:20][CH2:21][C:22]([OH:24])=O)=[CH:15][CH:14]=1.ON1C2C=CC=CC=2N=N1.CN.CO>CN(C)C=O.C(Cl)Cl.C(OCC)(=O)C>[F:12][C:13]1[CH:18]=[CH:17][C:16]([CH2:19][CH2:20][CH2:21][C:22]([NH:2][CH3:1])=[O:24])=[CH:15][CH:14]=1
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

9

Reactant 5

HCID 887MethanolHCID 6329MethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 685244-(p-Fluorophenyl)butyric acidHCID 757711-Hydroxybenzotriazole

Product 1

HCID 235128244-(4-fluorophenyl)-N-methylbutyramideYield 18.4%

Reagents, catalysts & solvents 3

HCID 6228DimethylformamideSolventHCID 6344DichloromethaneSolventHCID 8857Ethyl AcetateSolvent

Conditions

Temperature
0 °C

Procedure

At 0° C., 1-(3-dimethylaminopropyl)-3-ethylcarbodiimide (6.99 g, 36.5 mmol) was added to a solution of crude 4-(4-fluorophenyl)butyric acid (6.64 g, 36.5 mmol) and 1-hydroxybenzotriazole (4.92 g, 36.5 mmol) in N,N-dimethylformamide (50 ml) and DCM (50 ml). The reaction mixture was stirred for 20 min at 0° C. An 8.0 M solution of methylamine in methanol (91 ml. 729 mmol) was added. The reaction mixture was stirred for 16 hours, while it was warming up to room temperature. It was diluted with ethyl acetate (200 ml) and washed with a 10% aqueous solution of sodium hydrogen sulphate (100 ml). The aqueous phase was extracted with ethyl acetate (100 ml). The combined organic layers were washed with a saturated solution of sodium hydrogen carbonate (200 ml) and dried over magnesium sulphate. The solvent was removed in vacuo. The crude product was purified by flash chromatography on silica (100 g), using ethyl acetate/heptane 3:1 as eluent. The product was dissolved in ethyl acetate (200 ml) and washed with water (200 ml). The organic layer was dried over magnesium sulphate. The solvent was removed in vacuo to give 1.31 g of 4-(4-fluorophenyl)-N-methylbutyramide.

Workup

  1. stirringThe reaction mixture was stirred for 16 hours, while it
  2. temperaturewas warming up to room temperature
  3. washwashed with a 10% aqueous solution of sodium hydrogen sulphate (100 ml)
  4. extractionThe aqueous phase was extracted with ethyl acetate (100 ml)
  5. washThe combined organic layers were washed with a saturated solution of sodium hydrogen carbonate (200 ml)
  6. dry with materialdried over magnesium sulphate
  7. customThe solvent was removed in vacuo
  8. customThe crude product was purified by flash chromatography on silica (100 g)
  9. dissolutionThe product was dissolved in ethyl acetate (200 ml)
  10. washwashed with water (200 ml)
  11. dry with materialThe organic layer was dried over magnesium sulphate
  12. customThe solvent was removed in vacuo

Sources & evidence

ORD record
ord-e57e45411c2d4325b1157e3d4ad7564c
Source dataset
uspto-grants-2002_08
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US06437147B1

Reaction notes

Loading…

On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes