Ammonium thiocyanate → HCID 117833541, compound

HRID 1048627Notes

Reaction equation

HRID 1048627 reaction equation
[F:1][C:2]1[C:7]([F:8])=[C:6]([F:9])[C:5]([F:10])=[C:4]([F:11])[C:3]=1[C:12](=[O:15])[CH2:13]Br.[S-:16][C:17]#[N:18].[NH4+].C(=O)(O)[O-].[Na+]>C(#N)C>[F:1][C:2]1[C:7]([F:8])=[C:6]([F:9])[C:5]([F:10])=[C:4]([F:11])[C:3]=1[C:12](=[O:15])[CH2:13][S:16][C:17]#[N:18]

Participants

5

Reactant 3

HCID 15666Ammonium thiocyanateHCID 516892Sodium BicarbonateHCID 27759632-Bromo-1-(pentafluorophenyl)ethan-1-one

Product 1

HCID 117833541HCID 117833541, compound

Reagents, catalysts & solvents 1

HCID 6342AcetonitrileSolvent

Conditions

Temperature
25 °C

Procedure

A mixture of 1-(2,3,4,5,6-pentafluorophenyl)-2-bromo-1-ethanone 5.00 g, ammonium thiocyanate 1.58 g and acetonitrile 100 mL was stirred at 25° C. for one hour. To the reaction mixtures was added aqueous saturated sodium bicarbonate solution and the mixtures were extracted with ethyl acetate. The organic layers were washed with aqueous saturated sodium bicarbonate solution and were dried over anhydrous sodium sulfate. The resulting mixtures were concentrated under reduced pressure to give 1-(2,3,4,5,6-pentafluorophenyl)-2-thiocyanato-1-ethanone.

Workup

  1. customTo the reaction mixtures
  2. extractionthe mixtures were extracted with ethyl acetate
  3. washThe organic layers were washed with aqueous saturated sodium bicarbonate solution
  4. dry with materialwere dried over anhydrous sodium sulfate
  5. concentrationThe resulting mixtures were concentrated under reduced pressure

Sources & evidence

ORD record
ord-ebe6b4479277463cbb3ea1e6aa207453
Source dataset
uspto-grants-2016_07
Patent number
US09380782B2

Reaction notes

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