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Thionyl Chloride → O-methyl (4'-methylbiphenyl-2-yl)carbonylthiocarbamate

HRID 5227
Notes
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Reaction equation

HRID 5227 reaction equation
[CH3:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[CH:13]=[CH:12][CH:11]=[CH:10][C:9]=2[C:14]([OH:16])=O)=[CH:4][CH:3]=1.S(Cl)(Cl)=O.[S-:21][C:22]#[N:23].[K+].[O:25]1CCOC[CH2:26]1>C(Cl)(Cl)Cl>[CH3:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[CH:13]=[CH:12][CH:11]=[CH:10][C:9]=2[C:14]([NH:23][C:22](=[S:21])[O:25][CH3:26])=[O:16])=[CH:4][CH:3]=1
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

6

Reactant 4

HCID 24386Thionyl ChlorideHCID 312751,4-DioxaneHCID 815682-(4-Methylphenyl)benzoic acidHCID 516872Potassium thiocyanate

Product 1

HCID 54295303O-methyl (4'-methylbiphenyl-2-yl)carbonylthiocarbamate

Reagents, catalysts & solvents 1

HCID 6212
Chloroform
Solvent

Procedure

In chloroform (40 ml) was dissolved (4'-methylbiphenyl-2-yl)carboxylic acid (10 g). To the solution was added thionyl chloride (7 ml), and the mixture was heated for 3 hours under reflux. The reaction mixture was poured into ice-water, then the organic layer was separated, washed with water and concentrated to dryness to give a syrup, which was dissolved in dioxane (80 ml). To the solution was added powdered potassium thiocyanate (9.16 g), and the mixture was heated for one hour under reflux. The reaction mixture was allowed to cool, and then insolubles were filtered off. After addition of methanol (15 ml) to the filtrate, the solution was heated for 15 minutes under reflux. The reaction solution was concentrated to dryness, and the resulting crystals were crystallized from isopropyl ether to afford the title compound as white plates (7.4 g, 55%),

Workup

  1. temperaturethe mixture was heated for 3 hours
  2. temperatureunder reflux
  3. customthe organic layer was separated
  4. washwashed with water
  5. concentrationconcentrated to dryness
  6. customto give a syrup, which
  7. temperaturethe mixture was heated for one hour
  8. temperatureunder reflux
  9. temperatureto cool
  10. filtrationinsolubles were filtered off
  11. additionAfter addition of methanol (15 ml) to the filtrate
  12. temperaturethe solution was heated for 15 minutes
  13. temperatureunder reflux
  14. concentrationThe reaction solution was concentrated to dryness
  15. customthe resulting crystals were crystallized from isopropyl ether

Sources & evidence

ORD record
ord-3530d84ddd434b9796c4ba61b9c55ed4
Source dataset
uspto-grants-1993_09
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US05243054

Reaction notes

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On this pageParticipantsProcedureWorkupSources & evidenceReaction notes