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Sodium Carbonate → 3-Ethyl-1-benzofuran

HRID 1362313
Notes
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Reaction equation

HRID 1362313 reaction equation
[CH2:1]([O:5][C:6]1[CH:11]=[CH:10][CH:9]=[CH:8][C:7]=1I)[CH:2]=[CH:3][CH3:4].C([O-])([O-])=O.[Na+].[Na+].CC([O-])=O.[Na+]>CN(C=O)C.[N+](CCCC)(CCCC)(CCCC)CCCC.[Cl-].CCOC(C)=O.CC([O-])=O.CC([O-])=O.[Pd+2]>[CH2:3]([C:2]1[C:7]2[CH:8]=[CH:9][CH:10]=[CH:11][C:6]=2[O:5][CH:1]=1)[CH3:4]
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

8

Reactant 3

HCID 10340Sodium CarbonateHCID 517045Sodium AcetateHCID 614000581-But-2-enyloxy-iodobenzene

Product 1

HCID 141206573-Ethyl-1-benzofuranYield 43%

Reagents, catalysts & solvents 4

HCID 70681Tetrabutylammonium ChlorideCatalyst
HCID 167845
palladium(II) acetate
Catalyst
HCID 6228DimethylformamideSolvent
HCID 8857Ethyl AcetateSolvent

Procedure

To a solution of 1-but-2-enyloxy-iodobenzene (7.60 g, 27.7 mmol) in DMF (46 mL) was added n-Bu4NCl (8.46 g, 30.4 mmol), Pd(OAc)2 (0.338 g, 1.30 mmol), Na2CO3 (6.01 g, 56.7 mmol) and NaOAc (2.77 g, 27.0 mmol). The mixture was heated to reflux under nitrogen atmosphere overnight. The mixture was diluted with EtOAc and washed with water. The combined organics were washed with brine and dried over Na2SO4. Purification by column chromatography (silica gel, hexanes) gave the title compound (1.74 g, 43%) as a yellow oil: 1H NMR (300 MHz, DMSO-d6) δ 7.75 (s, 1H), 7.63-7.61 (m, 1H), 7.55 (t, J=6.6 Hz, 1H), 7.34-7.23 (m, 2H), 2.71-2.63 (m, 2H), 1.28 (t, J=7.5 Hz, 3H); ESI MS m/z 147 (M+H)+.

Workup

  1. temperatureThe mixture was heated
  2. temperatureto reflux under nitrogen atmosphere overnight
  3. washwashed with water
  4. washThe combined organics were washed with brine
  5. dry with materialdried over Na2SO4
  6. customPurification by column chromatography (silica gel, hexanes)

Sources & evidence

ORD record
ord-f331687a5b604e07a8e445ff0b455bd5
Source dataset
uspto-grants-2011_02
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US07879872B2

Reaction notes

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On this pageParticipantsProcedureWorkupSources & evidenceReaction notes