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Tetrabutylammonium Fluoride → tert-Butyl (E)-(3-fluoro-2-(hydroxymethyl)allyl)carbamate

HRID 623372
Notes
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Reaction equation

HRID 623372 reaction equation
[Si]([O:8][CH2:9][C:10](=[CH:20][F:21])[CH2:11][NH:12][C:13](=[O:19])[O:14][C:15]([CH3:18])([CH3:17])[CH3:16])(C(C)(C)C)(C)C.CCCC[N+](CCCC)(CCCC)CCCC.[F-]>C1COCC1>[F:21]/[CH:20]=[C:10](\[CH2:9][OH:8])/[CH2:11][NH:12][C:13](=[O:19])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18].[F:21]/[CH:20]=[C:10](/[CH2:9][OH:8])\[CH2:11][NH:12][C:13](=[O:19])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18]
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

5

Reactant 2

HCID 2724141Tetrabutylammonium FluorideHCID 131735177Tert-butyl 2-((tert-butyldimethylsilyloxy)methyl)-3-fluoroallylcarbamate

Product 2

HCID 900101092-[(Boc-amino)methyl]-3-fluoro-2-propen-1-olYield 6.5%HCID 90010111tert-Butyl (E)-(3-fluoro-2-(hydroxymethyl)allyl)carbamateYield 15.6%

Reagents, catalysts & solvents 1

HCID 8028
Tetrahydrofuran
Solvent

Procedure

To a stirring solution of tert-butyl 2-((tert-butyldimethylsilyloxy)methyl)-3-fluoroallylcarbamate (E/Z=1:1; 12.0 g, 37.6 mmol) in THF (30 mL) at room temperature was added TBAF (1:0 M in THF; 45.1 mL, 45.1 mmol). The resulting solution was left to stir for 30 min. The reaction mixture was partitioned between water (70 mL) and ethyl acetate (50 mL). The aqueous layer was extracted with ethyl acetate (50 mL) and the combined organics were washed with saturated aqueous NH4Cl (70 mL) followed by brine (70 mL). After drying over Na2SO4, the organics were concentrated in vacuo. Purification of the crude material over silica gel eluting with 20% ethyl acetate and 5% THF in n-hexane gave (Z)-tert-butyl 3-fluoro-2-(hydroxymethyl)-allylcarbamate (0.5 g, 6.5%), (E)-tert-butyl 3-fluoro-2-(hydroxymethyl)allylcarbamate (1.2 g, 15.6%) and a mixture of the E/Z isomers (5.5 g, 71.4%).

Workup

  1. waitThe resulting solution was left
  2. customThe reaction mixture was partitioned between water (70 mL) and ethyl acetate (50 mL)
  3. extractionThe aqueous layer was extracted with ethyl acetate (50 mL)
  4. washthe combined organics were washed with saturated aqueous NH4Cl (70 mL)
  5. dry with materialAfter drying over Na2SO4
  6. concentrationthe organics were concentrated in vacuo
  7. customPurification of the crude material over silica gel eluting with 20% ethyl acetate and 5% THF in n-hexane

Sources & evidence

ORD record
ord-53f8f9e908f141e680a9dbca705e9e8a
Source dataset
uspto-grants-2016_04
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US09302986B2

Reaction notes

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On this pageParticipantsProcedureWorkupSources & evidenceReaction notes