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Isopropyl chloroformate → Isopropyl 5-(2-hydroxyethyl)thiophene-2-carboxylate

HRID 1528012
Notes
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Reaction equation

HRID 1528012 reaction equation
C([Li])CCC.C([Si](C)(C)[O:11][CH2:12][CH2:13][C:14]1[S:15][CH:16]=[CH:17][CH:18]=1)(C)(C)C.Cl[C:22]([O:24][CH:25]([CH3:27])[CH3:26])=[O:23]>C1COCC1.C1(C)C=CC=CC=1>[OH:11][CH2:12][CH2:13][C:14]1[S:15][C:16]([C:22]([O:24][CH:25]([CH3:27])[CH3:26])=[O:23])=[CH:17][CH:18]=1
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

6

Reactant 3

HCID 7917Isopropyl chloroformateHCID 22503634Tert-butyldimethyl(2-(thiophen-2-YL)ethoxy)silaneHCID 178418339Butyllithium

Product 1

HCID 57487060Isopropyl 5-(2-hydroxyethyl)thiophene-2-carboxylateYield 71%

Reagents, catalysts & solvents 2

HCID 1140TolueneSolvent
HCID 8028
Tetrahydrofuran
Solvent

Procedure

A solution of n-butyllithium (37 mL of a 1.6 M solution in hexanes, 59.2 mmol) was added slowly to a solution of tert-butyldimethyl(2-(thiophen-2-yl)ethoxy)silane (see U.S. Pat. No. 5,739,141; 9.5 g, 39.0 mmol) in THF (100 mL) at −78° C. After 1 h at −78° C., isopropyl chloroformate (60 mL of a 1.0 M solution in toluene, 60 mmol) was added slowly. After 1 h at −78° C., the reaction was quenched by addition of saturated aqueous NH4Cl (150 mL) and was allowed to warm to room temperature. The phases were separated and the organic phase was dried (Na2SO4), filtered (washing with excess THF) and concentrated in vacuo. The crude residue was dissolved in THF (100 mL), cooled to 0° C. and treated with tetrabutylammonium fluoride (43 mL of a 1.0 M solution in THF, 43 mmol). The reaction was allowed to warm to room temperature and was stirred overnight. The reaction was concentrated in vacuo, saturated aqueous NH4Cl (100 mL) was added and the mixture was extracted with EtOAc (3×150 mL). The combined extracts were washed with brine (100 mL), dried (Na2SO4), filtered and concentrated in vacuo. The crude residue was purified on 330 g silica (40% EtOAc/hexanes→60% EtOAc/hexanes, gradient) to afford 6.6 g (71%) of isopropyl 5-(2-hydroxyethyl)thiophene-2-carboxylate.

Workup

  1. customat −78° C
  2. waitAfter 1 h at −78° C.
  3. customthe reaction was quenched by addition of saturated aqueous NH4Cl (150 mL)
  4. customThe phases were separated
  5. dry with materialthe organic phase was dried (Na2SO4)
  6. filtrationfiltered
  7. wash(washing with excess THF)
  8. concentrationconcentrated in vacuo
  9. dissolutionThe crude residue was dissolved in THF (100 mL)
  10. temperaturecooled to 0° C.
  11. additiontreated with tetrabutylammonium fluoride (43 mL of a 1.0 M solution in THF, 43 mmol)
  12. temperatureto warm to room temperature
  13. concentrationThe reaction was concentrated in vacuo, saturated aqueous NH4Cl (100 mL)
  14. additionwas added
  15. extractionthe mixture was extracted with EtOAc (3×150 mL)
  16. washThe combined extracts were washed with brine (100 mL)
  17. dry with materialdried (Na2SO4)
  18. filtrationfiltered
  19. concentrationconcentrated in vacuo
  20. customThe crude residue was purified on 330 g silica (40% EtOAc/hexanes→60% EtOAc/hexanes, gradient)

Sources & evidence

ORD record
ord-4f8c241b13ef4a849966469016a2f1cb
Source dataset
uspto-grants-2015_07
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US09090584B2

Reaction notes

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On this pageParticipantsProcedureWorkupSources & evidenceReaction notes