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Water → (2E,4S)-4-({[(1,1-dimethylethyl)oxy]carbonyl}amino)-2-hexenoic acid

HRID 78733
Notes
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Reaction equation

HRID 78733 reaction equation
[Li+].[OH-].[CH3:3][C:4]([O:7][C:8]([NH:10][C@@H:11]([CH2:18][CH3:19])/[CH:12]=[CH:13]/[C:14]([O:16]C)=[O:15])=[O:9])([CH3:6])[CH3:5].O>C1COCC1.CO>[CH3:6][C:4]([O:7][C:8]([NH:10][C@@H:11]([CH2:18][CH3:19])/[CH:12]=[CH:13]/[C:14]([OH:16])=[O:15])=[O:9])([CH3:3])[CH3:5]
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

6

Reactant 3

HCID 962WaterHCID 3939Lithium HydroxideHCID 86666383HCID 86666383, compound

Product 1

HCID 86704312(2E,4S)-4-({[(1,1-dimethylethyl)oxy]carbonyl}amino)-2-hexenoic acidYield 107.7%

Reagents, catalysts & solvents 2

HCID 887MethanolSolvent
HCID 8028
Tetrahydrofuran
Solvent

Procedure

LiOH (2.95 g, 123 mmol) was added to a solution of methyl (2E,4S)-4-({[(1,1-dimethylethyl)oxy]carbonyl}amino)-2-hexenoate (6 g, 24.66 mmol) in THF (50 mL), MeOH (10.00 mL), and water (50.0 mL). The reaction was stirred overnight at RT. After 18.5 h, the reaction mixture was concentrated under reduced pressure to remove the THF and MeOH. Water (40 mL) was added, and aqueous mixture was adjusted to pH=3 with 6 M aq. HCl, as measured by pH paper. EtOAc (80 mL) was added, the layers were separated, and the aqueous layer was extracted with EtOAc (2×40 mL). The combined organic layers were dried over Na2SO4, concentrated under reduced pressure, and dried under high vacuum, giving 6.09 g of the title compound. LC-MS m/z 230 (M+H)+, 0.77 min (ret time).

Workup

  1. waitAfter 18.5 h
  2. concentrationthe reaction mixture was concentrated under reduced pressure
  3. customto remove the THF and MeOH
  4. additionWater (40 mL) was added
  5. additionEtOAc (80 mL) was added
  6. customthe layers were separated
  7. extractionthe aqueous layer was extracted with EtOAc (2×40 mL)
  8. dry with materialThe combined organic layers were dried over Na2SO4
  9. concentrationconcentrated under reduced pressure
  10. customdried under high vacuum

Sources & evidence

ORD record
ord-2f8c9416e27740be98b0442139d0d73c
Source dataset
uspto-grants-2014_09
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US08841463B2

Reaction notes

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On this pageParticipantsProcedureWorkupSources & evidenceReaction notes