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Cesium carbonate → 4-(Bromomethyl)-2-methoxypyridine

HRID 925617
Notes
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Reaction equation

HRID 925617 reaction equation
Br.[Br:2][CH2:3][C:4]1[CH:9]=[CH:8][N:7]=[C:6]([O:10][CH3:11])[CH:5]=1.C(=O)([O-])[O-].[Cs+].[Cs+]>C1COCC1.O.ClCCl>[Br:2][CH2:3][C:4]1[CH:9]=[CH:8][N:7]=[C:6]([O:10][CH3:11])[CH:5]=1
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

6

Reactant 2

HCID 10796Cesium carbonateHCID 891885694-(Bromomethyl)-2-methoxypyridine hydrobromide

Product 1

HCID 198054314-(Bromomethyl)-2-methoxypyridine

Reagents, catalysts & solvents 3

HCID 962WaterSolventHCID 6344DichloromethaneSolvent2×HCID 8028
Tetrahydrofuran
Solvent

Conditions

Temperature
80 °C

Procedure

To a solution of the above compound (0.060 g, 0.14 mmol) in a mixture of 1 mL of THF and 0.15 mL of water under an atmosphere of nitrogen was added 4-(bromomethyl)-2-methoxypyridine hydrobromide (0.048 g, 0.17 mmol), cesium carbonate (0.156 g, 4.80 mmol), and [1,1′-bis-(diphenyl-phosphino)-ferrocene]dichloro-palladium(II), 1:1 complex with dichloromethane (5.0 mg, 0.69 mmol). The mixture was heated at 80° C. for 3 h, cooled to rt, and diluted with dichloromethane. The organic solution was washed with water, dried over sodium sulfate, filtered, and concentrated in vacuo. The residue was purified via silica gel chromatography, eluting with 0-5% methanol in dichloromethane to provide the title compound that gave proton NMR spectra consistent with theory and a mass ion (ES+) of 433.2231 for [M+H]+[Calc'd for C23H29N4O3, [M+H]+=433.2234]. 1H NMR (400 MHz, CDCl3) δ 8.91-8.89 (m, 1H), 8.09-8.06 (m, 1H), 7.99-7.97 (m, 2H), 7.37 (dd, J=8.5 Hz, 4.1 Hz, 1H), 6.65 (d, J=5.2 Hz), 6.42 (s, 1H), 4.74-4.60 (m, 2H), 4.37-4.31 (m, 1H), 4.24 (s, 2H), 3.83 (s, 3H), 3.62-3.57 (m, 1H) 3.25 (s, 3H), 2.32-2.30 (m, 1H), 2.18-2.00 (m, 1H), 1.89-1.86 (m, 1H), 1.81-1.74 (m, 2H), 1.59-1.53 (m, 1H), 1.46-1.20 (m, 2H).

Workup

  1. temperaturecooled to rt
  2. washThe organic solution was washed with water
  3. dry with materialdried over sodium sulfate
  4. filtrationfiltered
  5. concentrationconcentrated in vacuo
  6. customThe residue was purified via silica gel chromatography
  7. washeluting with 0-5% methanol in dichloromethane

Sources & evidence

ORD record
ord-176ca0882d7a41cba66ea45cfc7fd04e
Source dataset
uspto-grants-2016_03
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US09284312B2

Reaction notes

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On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes