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Hydrochloric Acid → Methyl 2-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-4-pentenoate

HRID 2396015
Notes
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Reaction equation

HRID 2396015 reaction equation
[CH:1](NC(C)C)([CH3:3])[CH3:2].C([Li])CCC.[CH3:13][O:14][C:15](=[O:26])[CH2:16][CH2:17][NH:18][C:19]([O:21][C:22]([CH3:25])([CH3:24])[CH3:23])=[O:20].C(Br)C=C.Cl>O1CCCC1.CCCCCC>[C:22]([O:21][C:19]([NH:18][CH2:17][CH:16]([CH2:3][CH:1]=[CH2:2])[C:15]([O:14][CH3:13])=[O:26])=[O:20])([CH3:23])([CH3:25])[CH3:24]
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

8

Reactant 5

HCID 313Hydrochloric AcidHCID 7841Allyl bromideHCID 7912DiisopropylamineHCID 11687095Methyl 3-(((tert-butoxy)carbonyl)amino)propanoateHCID 178418339Butyllithium

Product 1

HCID 10728929Methyl 2-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-4-pentenoate
Yield 103%

Reagents, catalysts & solvents 2

HCID 8028TetrahydrofuranSolvent2×HCID 8058HexaneSolvent

Conditions

Temperature
-78 °C

Procedure

Dissolve diisopropylamine (5.6 mL, 40 mmol) in anhydrous tetrahydrofuran, cool to -78° C. and place under nitrogen atmosphere. Treat with n-butyllithium (25 mL of a 1.6M solution in hexane, 40 mmol). Stir for 30 minutes and add, by dropwise addition, a solution of N-(t-butyloxycarbonyl)-β-alanine methyl ester (4.06 g, 20 mmol) in tetrahydrofuran (25 mL) over 20 minutes. Stir for an additional 30 minutes. Add allyl bromide (1.72 mL, 20 mmol) and allow the mixture to warm to room temperature with stirring until homogeneous. Cool to -78° C. and slowly warm to -20° C. over 30 minutes. Pour into 5% hydrochloric acid, extract into ether, wash with saturated sodium chloride, dry, and concentrate to yield 5.01 g yellow oil. Purify by silica gel chromatography (25% ethyl acetate/hexane) to yield 4.2 g (87%) of a racemic mixture of the title compound as a clear colorless oil.

Workup

  1. additionadd, by dropwise addition
  2. stirringStir for an additional 30 minutes
  3. temperatureto warm to room temperature
  4. stirringwith stirring until homogeneous
  5. temperatureCool to -78° C.
  6. temperatureslowly warm to -20° C. over 30 minutes
  7. extractionextract into ether
  8. washwash with saturated sodium chloride
  9. customdry
  10. concentrationconcentrate

Sources & evidence

ORD record
ord-125504dd5e3b4d2f8de31bfb5af8dd71
Source dataset
uspto-grants-1996_02
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US05491143

Reaction notes

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On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes