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Hydrochloric Acid → 2-(3,4-Dichlorophenyl)pent-4-enenitrile

HRID 844558
Notes
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Reaction equation

HRID 844558 reaction equation
[Cl:1][C:2]1[CH:3]=[C:4]([CH2:9][C:10]#[N:11])[CH:5]=[CH:6][C:7]=1[Cl:8].[CH:12]([N-]C(C)C)([CH3:14])[CH3:13].[Li+].C(Br)C=C.Cl>O1CCCC1.C1CCCCC1>[C:10]([CH:9]([C:4]1[CH:5]=[CH:6][C:7]([Cl:8])=[C:2]([Cl:1])[CH:3]=1)[CH2:14][CH:12]=[CH2:13])#[N:11]
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

7

Reactant 4

HCID 313Hydrochloric AcidHCID 7841Allyl bromideHCID 76690(3,4-Dichlorophenyl)acetonitrileHCID 2724682Lithium diisopropylamide

Product 1

HCID 221772462-(3,4-Dichlorophenyl)pent-4-enenitrile

Reagents, catalysts & solvents 2

HCID 8028Tetrahydrofuran
Solvent
HCID 8078CyclohexaneSolvent

Conditions

Temperature
-70 °C

Procedure

3,4-Dichlorophenylacetonitrile (80 g) was dissolved in anhydrous tetrahydrofuran (800 ml) under a nitrogen atmosphere, cooled to −70° C., and lithium di-isopropylamide (320 ml of a 1.5M solution in cyclohexane) added. The mixture was stirred at −70° C. for 30 minutes, allyl bromide (63 g) added over 15 minutes and the mixture stirred for a further 30 minutes. 2N Aqueous hydrochloric acid solution (600 ml) was then added and the mixture extracted twice with diethyl ether. The organic extracts were combined and the solvent removed under reduced pressure. The resulting residue was dissolved in dichloromethane, dried over anhydrous sodium sulphate and the solvent removed under reduced pressure to give a red mobile oil. This was chromatographed on silica gel eluting with 4:1, by volume, hexane:dichloromethane to give 4-cyano-4-(3,4-dichlorophenyl)but-1-ene (94.8 g) as an oil.

Workup

  1. stirringthe mixture stirred for a further 30 minutes
  2. extractionthe mixture extracted twice with diethyl ether
  3. customthe solvent removed under reduced pressure
  4. dissolutionThe resulting residue was dissolved in dichloromethane
  5. dry with materialdried over anhydrous sodium sulphate
  6. customthe solvent removed under reduced pressure
  7. customto give a red mobile oil
  8. customThis was chromatographed on silica gel eluting with 4:1, by volume, hexane

Sources & evidence

ORD record
ord-a62a6a95c43648f2b8c9a45c27e6dbfb
Source dataset
uspto-grants-2002_04
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US06380396B1

Reaction notes

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On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes