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Ethyl chloroformate → Ethyl 2,6-dichloro-4-(trifluoromethyl)benzoate

HRID 342973
Notes
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Reaction equation

HRID 342973 reaction equation
C([Li])CCC.[Cl:6][C:7]1[CH:12]=[C:11]([C:13]([F:16])([F:15])[F:14])[CH:10]=[C:9]([Cl:17])[C:8]=1Br.Cl[C:20]([O:22][CH2:23][CH3:24])=[O:21].[Cl-].[NH4+]>CCOCC>[Cl:6][C:7]1[CH:12]=[C:11]([C:13]([F:16])([F:15])[F:14])[CH:10]=[C:9]([Cl:17])[C:8]=1[C:20]([O:22][CH2:23][CH3:24])=[O:21]
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

6

Reactant 4

HCID 10928Ethyl chloroformateHCID 25517Ammonium ChlorideHCID 12682564-Bromo-3,5-dichlorobenzotrifluorideHCID 178418339Butyllithium

Product 1

HCID 54315306Ethyl 2,6-dichloro-4-(trifluoromethyl)benzoateYield 77.7%

Reagents, catalysts & solvents 1

HCID 3283
Diethyl Ether
Solvent

Conditions

Temperature
-78 °C

Procedure

n-Butyllithium (1.6M in hexane, 330 ml) was added dropwise with stirring to a solution of 2,6-dichloro-4-trifluoromethylbromobenzene (163.3 g) in ether while maintaining the temperature below -70° C. The mixture was stirred for 1 hour at -78° C. then ethyl chloroformate (61.7 g) was added while maintaining the temperature below -70° C. The mixture was stirred at room temperature overnight. It was cooled to 0° C. and a saturated aqueous solution of ammonium chloride was added. The layers were separated and the organic layer was washed with water, dried (Na2SO4) and filtered. The filtrate was evaporated to dryness and the residue was distilled to give ethyl 2,6-dichloro-4-trifluoromethylbenzoate (123.9 g) as a colourless liquid bp 90°-96° C. at 5 mmHg.

Workup

  1. temperaturewhile maintaining the temperature below -70° C
  2. temperaturewhile maintaining the temperature below -70° C
  3. stirringThe mixture was stirred at room temperature overnight
  4. temperatureIt was cooled to 0° C.
  5. customThe layers were separated
  6. washthe organic layer was washed with water
  7. dry with materialdried (Na2SO4)
  8. filtrationfiltered
  9. customThe filtrate was evaporated to dryness
  10. distillationthe residue was distilled

Sources & evidence

ORD record
ord-9c5d8526cc0a4f11a0633be9eab03f6d
Source dataset
uspto-grants-1999_01
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US05859283

Reaction notes

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On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes