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4-Methylmorpholine → 2-(4-(1H-pyrazol-1-yl)phenyl)-N,2-dimethoxy-N-methylacetamide

HRID 56498
Notes
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Reaction equation

HRID 56498 reaction equation
C[C:2]([C:8]1[CH:13]=[CH:12][C:11]([N:14]2[CH:18]=[CH:17][CH:16]=[N:15]2)=[CH:10][CH:9]=1)([O:6][CH3:7])[C:3]([OH:5])=O.CN1CCOCC1.C(OC(Cl)=O)C(C)C.Cl.[CH3:35][NH:36][O:37][CH3:38]>ClCCl.C([O-])(O)=O.[Na+]>[N:14]1([C:11]2[CH:10]=[CH:9][C:8]([CH:2]([O:6][CH3:7])[C:3]([N:36]([O:37][CH3:38])[CH3:35])=[O:5])=[CH:13][CH:12]=2)[CH:18]=[CH:17][CH:16]=[N:15]1
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

7

Reactant 4

HCID 79724-MethylmorpholineHCID 62365Isobutyl chloroformateHCID 81138Methanamine, N-methoxy-, hydrochloride (1:1)HCID 67388538methyl 2-(4-(1H-pyrazol-1-yl)phenyl)-2-methoxyacetic acid

Product 1

HCID 584320162-(4-(1H-pyrazol-1-yl)phenyl)-N,2-dimethoxy-N-methylacetamideYield 76%

Reagents, catalysts & solvents 2

HCID 6344DichloromethaneSolventHCID 516892Sodium BicarbonateSolvent

Conditions

Temperature
0 °C

Procedure

To a solution of methyl 2-(4-(1H-pyrazol-1-yl)phenyl)-2-methoxyacetic acid (0.18 g, 0.77 mmol) in dry dichloromethane (5 mL) under argon was added N-methylmorpholine (0.18 mL, 1.7 mmol). The reaction mixture was cooled to 0° C., isobutylchloroformate was added, (0.11 mL, 0.85 mmol) and the mixture was stirred for 40 minutes. N,O-dimethylhydroxylamine hydrochloride (0.098 g, 1 mmol) was then added in one portion and slowly allowed to warm to room temperature and stirred for 18 hours. The mixture was diluted with saturated aqueous NaHCO3 and extracted with EtOAc. The combined organics were washed with brine, dried over Na2SO4 and concentrated in vacuo. Purification by chromatography (0-80% EtOAc-hexanes) provided 2-(4-(1H-pyrazol-1-yl)phenyl)-N,2-dimethoxy-N-methylacetamide (0.16 g, 76% yield).

Workup

  1. temperatureto warm to room temperature
  2. stirringstirred for 18 hours
  3. extractionextracted with EtOAc
  4. washThe combined organics were washed with brine
  5. dry with materialdried over Na2SO4
  6. concentrationconcentrated in vacuo
  7. customPurification by chromatography (0-80% EtOAc-hexanes)

Sources & evidence

ORD record
ord-270dd1c6e4a848f3a88a3b0c86518f21
Source dataset
uspto-grants-2016_09
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US09434707B2

Reaction notes

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On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes