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Methyl vinyl ketone → 4-(2,4,6-Trichlorophenyl)but-3-en-2-one

HRID 1807410
Notes
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Reaction equation

HRID 1807410 reaction equation
[CH3:1][C:2](=[O:5])[CH:3]=[CH2:4].[Cl:6][C:7]1[CH:12]=[C:11]([Cl:13])[CH:10]=[C:9]([Cl:14])[C:8]=1I.C(=O)([O-])O.[Na+]>[Cl-].C([N+](CCCC)(CCCC)CCCC)CCC.CN(C=O)C.CC([O-])=O.CC([O-])=O.[Pd+2]>[Cl:6][C:7]1[CH:12]=[C:11]([Cl:13])[CH:10]=[C:9]([Cl:14])[C:8]=1/[CH:4]=[CH:3]/[C:2](=[O:5])[CH3:1]
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

7

Reactant 3

HCID 6570Methyl vinyl ketoneHCID 2320541,3,5-Trichloro-2-iodobenzeneHCID 516892Sodium Bicarbonate

Product 1

HCID 670864784-(2,4,6-Trichlorophenyl)but-3-en-2-oneYield 63%

Reagents, catalysts & solvents 3

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

Conditions

Temperature
50 °C

Procedure

A round bottom flask equipped with magnetic stirrer and nitrogen inlet was charged with but-3-en-2-one (1.14 g, 16.25 mmol), 1,3,5-trichloro-2-iodo-benzene (2.0 g, 6.5 mmol), Pd(OAc)2 (125 mg, 0.65 mmol), sodium hydrogen carbonate (1.64 g, 19.5 mmol) and tetrabutylammonium chloride (2.17 g, 7.8 mmol) in DMF (20 ml). The mixture was stirred at 50° C. for 24 hours. The reaction mixture was poured onto water (100 ml) and extracted with ether (3×50 ml). Combined organic layers were dried over anhydrous sodium sulphate, filtered and concentrated in vacuo. The residue was purified by flash chromatography over silica gel (150 g) (eluent: n-hexane/ethyl acetate 1:20) to afford 1.02 g (63% of theory) of (E)-4-(2,4,6-trichloro-phenyl)-but-3-en-2-one in form of an oil.

Workup

  1. customA round bottom flask equipped with magnetic stirrer and nitrogen inlet
  2. additionThe reaction mixture was poured onto water (100 ml)
  3. extractionextracted with ether (3×50 ml)
  4. dry with materialCombined organic layers were dried over anhydrous sodium sulphate
  5. filtrationfiltered
  6. concentrationconcentrated in vacuo
  7. customThe residue was purified by flash chromatography over silica gel (150 g) (eluent: n-hexane/ethyl acetate 1:20)

Sources & evidence

ORD record
ord-a8ef47bad49549b9bd169715089e0af6
Source dataset
uspto-grants-2013_01
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US08357635B2

Reaction notes

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On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes