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Cesium carbonate → Methyl 5-(2,2,2-trifluoroethoxy)pyridine-2-carboxylate

HRID 341533
Notes
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Reaction equation

HRID 341533 reaction equation
[OH:1][C:2]1[CH:3]=[CH:4][C:5]([C:8]([O:10][CH3:11])=[O:9])=[N:6][CH:7]=1.C(=O)([O-])[O-].[Cs+].[Cs+].FC(F)(F)S(O[CH2:24][C:25]([F:28])([F:27])[F:26])(=O)=O>CN(C=O)C>[F:26][C:25]([F:28])([F:27])[CH2:24][O:1][C:2]1[CH:3]=[CH:4][C:5]([C:8]([O:10][CH3:11])=[O:9])=[N:6][CH:7]=1
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

5

Reactant 3

HCID 10796Cesium carbonateHCID 803662,2,2-Trifluoroethyl trifluoromethanesulfonateHCID 4715126Methyl 5-hydroxypyridine-2-carboxylate2×

Product 1

HCID 57475873Methyl 5-(2,2,2-trifluoroethoxy)pyridine-2-carboxylateYield 77.2%

Reagents, catalysts & solvents 1

HCID 6228Dimethylformamide
Solvent

Procedure

Methyl 5-hydroxypyridine-2-carboxylate (Intermediate 224, 0.610 g, 3.59 mmol) was dissolved in DMF (5 mL), cesium carbonate (1.40 g, 4.31 mmol) and 2,2,2-trifluoroethyl trifluoromethanesulfonate (1.0 g, 4.31 mmol) were added and the mixture stirred at room temperature for 18 h. The mixture was partitioned between EtOAc (50 mL) and water (15 mL) and the aqueous layer extracted with further EtOAc (2×20 mL). The combined organic layers were dried over sodium sulfate and concentrated under vacuum. The crude material was purified by FCC, eluting with a gradient of 0-50% EtOAc in heptane to afford the title compound as a white solid (0.652 g, 77%). 1H NMR (500 MHZ, CDCl3) δ ppm 8.40 (1H, d), 8.09 (1H, d), 7.27 (1H, dd), 4.41 (2H, q) and 3.93 (3H, s).

Workup

  1. customThe mixture was partitioned between EtOAc (50 mL) and water (15 mL)
  2. extractionthe aqueous layer extracted with further EtOAc (2×20 mL)
  3. dry with materialThe combined organic layers were dried over sodium sulfate
  4. concentrationconcentrated under vacuum
  5. customThe crude material was purified by FCC
  6. washeluting with a gradient of 0-50% EtOAc in heptane

Sources & evidence

ORD record
ord-35906ed04eb943f8b5a572a40bf2792a
Source dataset
uspto-grants-2014_11
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US08895733B2

Reaction notes

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On this pageParticipantsProcedureWorkupSources & evidenceReaction notes