1-Propanol → HCID 22116527, compound

HRID 1276612Notes

Reaction equation

HRID 1276612 reaction equation
[CH2:1]([N:4]=[C:5]=[S:6])[CH2:2][CH3:3].[CH2:7]([OH:10])[CH2:8][CH3:9]>>[CH2:1]([NH:4][C:5](=[S:6])[O:10][CH2:7][CH2:8][CH3:9])[CH2:2][CH3:3]

Participants

3

Reactant 2

HCID 10311-PropanolHCID 69403Propyl Isothiocyanate

Product 1

HCID 22116527HCID 22116527, compound

Procedure

To 10 g (0.099 g) of propyl isothiocyanate was added 50 mL of n-propanol. The reaction mixture was heated to reflux for 3 h and cooled to room temperature. An aliquot was removed and concentrated under reduced pressure to give the title compound, 1H NMR (300 MHz, CDCl3): δ0.94-1.02 (m,6H); 1.49-1.83 (m,4H); 3.22 (q), 3.51 (q,2H total); 4.37 (t), 4.45 (t,2H total), 6.25 (br s), 6.78 (br s,1H total). The remaining reaction mixture was concentrated under reduced pressure as above to provide 13.5 g of oil which was used without further purification.

Workup

  1. temperatureThe reaction mixture was heated
  2. temperatureto reflux for 3 h
  3. customAn aliquot was removed
  4. concentrationconcentrated under reduced pressure

Sources & evidence

ORD record
ord-78ad5524ae0149f7bed1910761dc3772
Source dataset
uspto-grants-2000_12
Patent number
US06166208

Reaction notes

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