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Chloroacetyl chloride → 2-chloro-N-(3,3,3-trifluoro-2-hydroxy-1-isopropyl-propyl)acetamide

HRID 441172
Notes
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Reaction equation

HRID 441172 reaction equation
Cl.[NH2:2][CH:3]([CH:10]([CH3:12])[CH3:11])[CH:4]([OH:9])[C:5]([F:8])([F:7])[F:6].CN1CCOCC1.[Cl:20][CH2:21][C:22](Cl)=[O:23]>O1CCCC1.C(OCC)(=O)C>[Cl:20][CH2:21][C:22]([NH:2][CH:3]([CH:10]([CH3:12])[CH3:11])[CH:4]([OH:9])[C:5]([F:6])([F:7])[F:8])=[O:23]
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

6

Reactant 3

HCID 6577Chloroacetyl chlorideHCID 79724-MethylmorpholineHCID 14503247HCID 14503247, compound

Product 1

HCID 103322352-chloro-N-(3,3,3-trifluoro-2-hydroxy-1-isopropyl-propyl)acetamide

Reagents, catalysts & solvents 2

HCID 8028TetrahydrofuranSolvent2×
HCID 8857
Ethyl Acetate
Solvent

Procedure

To a solution of 3-amino-1,1,1-trifluoro-4-methyl-2-pentanol hydrochloride (20 g) in distilled tetrahydrofuran (480 mL) under nitrogen was added 4-methylmorpholine (21.8 mL) resulting in a white precipitate. A solution of chloroacetyl chloride (7.7 mL) in distilled tetrahydrofuran (40 mL) was added dropwise over 1 hour, and the mixture was stirred overnight. The mixture was diluted with ethyl acetate and filtered to remove undissolved solids. The filtrate was washed with 10% hydrochloric acid, water, saturated aqueous sodium bicarbonate and brine. The solid that had been filtered was dissolved in water, the aqueous phase was extracted with ethyl acetate (twice), and the extracts were washed as the first extract had been. The organic phases were combined, dried, and evaporated to give 2-chloro-N-(3,3,3-trifluoro-2-hydroxy-1-isopropyl-propyl)acetamide as an oil (23.8 g); TLC: Rf =0.70, dichloromethane:methanol (95:5); MS: m/z=248(M+1 for 35Cl).

Workup

  1. customresulting in a white precipitate
  2. filtrationfiltered
  3. customto remove undissolved solids
  4. washThe filtrate was washed with 10% hydrochloric acid, water, saturated aqueous sodium bicarbonate and brine
  5. filtrationThe solid that had been filtered
  6. dissolutionwas dissolved in water
  7. extractionthe aqueous phase was extracted with ethyl acetate (twice), and the extracts
  8. washwere washed as the
  9. extractionfirst extract
  10. customdried
  11. customevaporated

Sources & evidence

ORD record
ord-ecfafc213fed43ca84988d6880e93fb0
Source dataset
uspto-grants-1996_05
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US05521179

Reaction notes

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On this pageParticipantsProcedureWorkupSources & evidenceReaction notes