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Cesium carbonate → HCID 58188118, compound

HRID 1845112
Notes
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Reaction equation

HRID 1845112 reaction equation
[CH:1]([B-](F)(F)F)=[CH2:2].[K+].C1C=CC(P(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1.C([O-])([O-])=O.[Cs+].[Cs+].Br[C:34]1[CH:35]=[CH:36][C:37]([CH:40]([F:42])[F:41])=[N:38][CH:39]=1>C1COCC1.O.Cl[Pd]Cl.O>[F:41][CH:40]([F:42])[C:37]1[CH:36]=[CH:35][C:34]([CH:1]=[CH2:2])=[CH:39][N:38]=1
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

8

Reactant 4

HCID 10796Cesium carbonateHCID 11776TriphenylphosphineHCID 23679353Potassium vinyltrifluoroborateHCID 534150625-Bromo-2-(difluoromethyl)pyridine

Product 1

HCID 58188118HCID 58188118, compoundYield 76.6%

Reagents, catalysts & solvents 3

HCID 24290
Palladium Chloride
Catalyst
HCID 962WaterSolvent
HCID 21881883Oxolane--water (1/1)Solvent

Conditions

Temperature
80 °C

Procedure

To a stirred suspension of potassium vinyltrifluoroborate (3.32 g, 24.8 mmol), PdCl2 (0.1 g, 0.56 mmol) and PPh3 (0.45 g, 1.71 mmol) in 60 mL of THF—H2O (9:1) were added Cs2CO3 (20.2 g, 62 mmol) and 5-bromo-2-(difluoromethyl)pyridine (4.3 g, 20.7 mmol). The resulting reaction mixture was heated to 80° C. and stirred for 16 h. After completion of the reaction, the reaction mixture was cooled to room temperature, treated with water and extracted with CH2Cl2. The organic layer was dried over anhydrous Na2SO4 and the solvents were evaporated in vacuo. The residue was purified by column chromatography (SiO2, 5% Et2O/pentane) to afford the title compound (2.46 g, 75% yield). MS: 156 [M+1]+; 1H-NMR (300 MHz, CDCl3): δ 8.64 (s, 1H), 7.86 (d, 1H, J=8.3 Hz), 7.60 (d, 1H, J=8.3 Hz), 6.74 (dd, 1H, J=18, 11.2 Hz), 6.63 (t, 1H, J=55.6 Hz), 5.91 (d, 1H, J=18 Hz), 5.48 (d, 1H, J=11.2 Hz).

Workup

  1. customThe resulting reaction mixture
  2. customAfter completion of the reaction
  3. temperaturethe reaction mixture was cooled to room temperature
  4. extractionextracted with CH2Cl2
  5. dry with materialThe organic layer was dried over anhydrous Na2SO4
  6. customthe solvents were evaporated in vacuo
  7. customThe residue was purified by column chromatography (SiO2, 5% Et2O/pentane)

Sources & evidence

ORD record
ord-f50d6c4d00384738bba4b19d79b6b6c3
Source dataset
uspto-grants-2015_02
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US08946439B2

Reaction notes

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On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes