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Hydrochloric Acid → 4-Chloro-3-ethylthio-2-methylbenzoic acid

HRID 1640387
Notes
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Reaction equation

HRID 1640387 reaction equation
C(=O)([O-])[O-].[Cs+].[Cs+].[Cl:7][C:8]1[CH:16]=[CH:15][C:11]([C:12]([OH:14])=[O:13])=[C:10]([CH3:17])[C:9]=1[SH:18].I[CH2:20][CH3:21].Cl>C(#N)C.O>[Cl:7][C:8]1[CH:16]=[CH:15][C:11]([C:12]([OH:14])=[O:13])=[C:10]([CH3:17])[C:9]=1[S:18][CH2:20][CH3:21]
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

7

Reactant 4

HCID 313Hydrochloric AcidHCID 6340IodoethaneHCID 10796Cesium carbonateHCID 667391434-Chloro-3-mercapto-2-methylbenzoic acid

Product 1

HCID 667391774-Chloro-3-ethylthio-2-methylbenzoic acidYield 92%

Reagents, catalysts & solvents 2

HCID 962
Water
Solvent
HCID 6342AcetonitrileSolvent

Procedure

3.71 g (11.3 mmol) of cesium carbonate were added to 1.10 g (5.42 mmol) of 4-chloro-3-mercapto-2-methylbenzoic acid in 20 ml of acetonitrile. The reaction mixture was stirred at RT for 10 min, and 1.02 g (6.51 mmol) of iodoethane were then slowly added dropwise. The reaction mixture was then stirred at RT for 16 h. The solvent was then removed, and a mixture of 20 ml of methanol and 2 ml of 20% strength aqueous sodium hydroxide solution was then added to the reaction mixture. For the hydrolysis of the ethyl ester formed, the mixture was stirred at RT for 16 h and then freed from the solvents. The residue was taken up in water and acidified with diluted HCl, and the mixture was stirred at RT for 10 min and then filtered. The residue was washed with water and sucked dry. 1.15 g of clean product were isolated.

Workup

  1. stirringThe reaction mixture was then stirred at RT for 16 h
  2. customThe solvent was then removed
  3. additiona mixture of 20 ml of methanol and 2 ml of 20% strength aqueous sodium hydroxide solution
  4. additionwas then added to the reaction mixture
  5. customFor the hydrolysis of the ethyl ester
  6. customformed
  7. stirringthe mixture was stirred at RT for 16 h
  8. stirringthe mixture was stirred at RT for 10 min
  9. filtrationfiltered
  10. washThe residue was washed with water
  11. customsucked dry

Sources & evidence

ORD record
ord-febf48003a774154aad8ad5c33643acd
Source dataset
uspto-grants-2012_02
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US08114816B2

Reaction notes

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On this pageParticipantsProcedureWorkupSources & evidenceReaction notes