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Hydrochloric Acid → 4-(Ethoxycarbonyl)-5,6-dihydro-2H-pyran-3-carboxylic acid

HRID 530689
Notes
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Reaction equation

HRID 530689 reaction equation
[C:1]([O:4]C(=O)C)(=[O:3])C.CCN(C(C)C)C(C)C.C([O-])=O.[Na+].FC(F)(F)S(O[C:27]1[CH2:32][O:31][CH2:30][CH2:29][C:28]=1[C:33]([O:35][CH2:36][CH3:37])=[O:34])(=O)=O.[Li+].[Cl-].Cl>CN(C=O)C.C([O-])(=O)C.[Pd+2].C([O-])(=O)C.CCOC(C)=O>[CH2:36]([O:35][C:33]([C:28]1[CH2:29][CH2:30][O:31][CH2:32][C:27]=1[C:1]([OH:4])=[O:3])=[O:34])[CH3:37]
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

10

Reactant 6

HCID 313Hydrochloric AcidHCID 7918Acetic AnhydrideHCID 81531DiisopropylethylamineHCID 433294Lithium ChlorideHCID 2723810Sodium FormateHCID 86638856ethyl 5-(((trifluoromethyl)sulfonyl)oxy)-3,6-dihydro-2H-pyran-4-carboxylate

Product 1

HCID 90047463
4-(Ethoxycarbonyl)-5,6-dihydro-2H-pyran-3-carboxylic acid

Reagents, catalysts & solvents 3

HCID 167845palladium(II) acetateCatalystHCID 6228DimethylformamideSolventHCID 8857Ethyl AcetateSolvent

Procedure

A mixture of acetic anhydride (5.19 g, 4.8 mL, 50.9 mmol), DIPEA (6.58 g, 8.89 mL, 50.9 mmol) and sodium formate (5.19 g, 76.3 mmol) was stirred at RT for 1 h. A solution of ethyl 5-(trifluoromethylsulfonyloxy)-3,6-dihydro-2H-pyran-4-carboxylate (8.6 g, 25.4 mmol; prepared according to WO2010038167) in DMF (50 mL) was added dropwise, followed by the addition of palladium (II) acetate (286 mg, 1.27 mmol) and LiCl (3.24 g, 76.3 mmol). After stirring at RT for 1.5 h the black suspension was poured on 2M aqueous HCl solution (100 mL) and EtOAc (100 mL) and the layers were separated. The aqueous layer was extracted twice with EtOAc (100 mL). The organic layers were washed twice with H2O and once with brine, dried over MgSO4, filtered, treated with silica gel and evaporated. The compound was purified by silica gel chromatography on a 120 g column using an MPLC system eluting with a gradient of CH2Cl2:MeOH (100:0 to 80:20). Light brown oil (4.14 g; 81.3%). MS (ESI): m/z=199.06 [M−H]−.

Workup

  1. stirringAfter stirring at RT for 1.5 h the black suspension
  2. customthe layers were separated
  3. extractionThe aqueous layer was extracted twice with EtOAc (100 mL)
  4. washThe organic layers were washed twice with H2O and once with brine
  5. dry with materialdried over MgSO4
  6. filtrationfiltered
  7. additiontreated with silica gel
  8. customevaporated
  9. customThe compound was purified by silica gel chromatography on a 120 g column
  10. washeluting with a gradient of CH2Cl2:MeOH (100:0 to 80:20)

Sources & evidence

ORD record
ord-39b0ee966c2c473586d8fcbee814659e
Source dataset
uspto-grants-2016_05
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US09353102B2

Reaction notes

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On this pageParticipantsProcedureWorkupSources & evidenceReaction notes