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Cesium carbonate → cis-4-(3-Chlorophenyl)-2,6-dimethylmorpholine

HRID 2278427
Notes
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Reaction equation

HRID 2278427 reaction equation
[Cl:1][C:2]1[CH:7]=[CH:6][CH:5]=[C:4](I)[CH:3]=1.[CH3:9][C@H:10]1[O:15][C@@H:14]([CH3:16])[CH2:13][NH:12][CH2:11]1.C(=O)([O-])[O-].[Cs+].[Cs+].C1C=CC(P(C2C(C3C(P(C4C=CC=CC=4)C4C=CC=CC=4)=CC=C4C=3C=CC=C4)=C3C(C=CC=C3)=CC=2)C2C=CC=CC=2)=CC=1>O1CCOCC1.C([O-])(=O)C.[Pd+2].C([O-])(=O)C>[Cl:1][C:2]1[CH:3]=[C:4]([N:12]2[CH2:11][C@H:10]([CH3:9])[O:15][C@H:14]([CH3:16])[CH2:13]2)[CH:5]=[CH:6][CH:7]=1
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

7

Reactant 4

HCID 10796Cesium carbonateHCID 122691-Chloro-3-iodobenzeneHCID 634876Binap, (A+-)-HCID 6415002,6-Dimethylmorpholine, cis-

Product 1

HCID 68056117cis-4-(3-Chlorophenyl)-2,6-dimethylmorpholine

Reagents, catalysts & solvents 2

HCID 167845
palladium(II) acetate
Catalyst
HCID 312751,4-DioxaneSolvent

Conditions

Temperature
130 °C

Procedure

1-Chloro-3-iodobenzene (3.09 g, 12.96 mmol) was dissolved in 1,4-dioxane (50 mL). To this was added cis-2,6-dimethylmorpholine (1.492 g, 12.96 mmol), caesium carbonate (6.33 g, 19.44 mmol) and BINAP (1.210 g, 1.944 mmol) and the solution was degassed by sonication under argon. To this was added palladium(II) acetate (0.145 g, 0.648 mmol) and the solution was refluxed at 130° C. under argon overnight. Crude LC/MS showed desired product and no starting material so the reaction mixture was filtered through celite, eluting with ethyl acetate. The filtrate was diluted with water and the aqueous phase was separated and re-extracted using ethyl acetate (×3). The combined organic layers were washed with brine, separated, dried over magnesium sulphate, filtered and concentrated under pressure. The residue was dissolved in dichloromethane (˜10 ml) and purified on silica by using a Biotage SP4 chromatographic system (65i cartridge, eluted with 0-35% ethyl acetate in isohexanes). Fractions containing pure product were combined and concentrated under reduced pressure to give the title compound as a yellow oil (1.785 g, 7.51 mmol, 58.0% yield). LC/MS [M+H]+=226/228.

Workup

  1. customthe solution was degassed by sonication under argon

Sources & evidence

ORD record
ord-6ff533453f244b5c84815a6a93230ef3
Source dataset
uspto-grants-2015_09
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US09133178B2

Reaction notes

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On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes