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p-Toluenesulfonic acid → Ethyl 3-(2-chloro-4,5-difluorophenyl)-3-oxopropanoate

HRID 974663
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HRID 974663 반응식
[Cl:1][C:2]1[CH:20]=[C:19]([F:21])[C:18]([F:22])=[CH:17][C:3]=1[C:4]([CH:6](C(OCC)=O)[C:7]([O:9][CH2:10][CH3:11])=[O:8])=[O:5].C1(C)C=CC(S(O)(=O)=O)=CC=1>O>[Cl:1][C:2]1[CH:20]=[C:19]([F:21])[C:18]([F:22])=[CH:17][C:3]=1[C:4]([CH2:6][C:7]([O:9][CH2:10][CH3:11])=[O:8])=[O:5]
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참가 물질

4

반응물 2

HCID 6101p-Toluenesulfonic acidHCID 14425827Diethyl (2-chloro-4,5-difluorobenzoyl)propanedioate

생성물 1

HCID 14423850Ethyl 3-(2-chloro-4,5-difluorophenyl)-3-oxopropanoate수율 58.3%

시약·촉매·용매 1

HCID 962Water용매

실험 절차

To 70 g of diethyl 2-chloro-4,5-difluorobenzoylmalonate, 90 cc of water was added for emulsification. Then, 0.2 g of p-toluenesulfonic acid was added thereto, and the mixture was refluxed for three hours under vigorous stirring. After cooling, the reaction mixture was extracted three times with 150 cc of methylene chloride, and the extract was washed with a saturated sodium chloride aqueous solution, dried over anhydrous sodium sulfate, concentrated and then recrystallized from methylene chloride/n-hexane to obtain 32 g of the desired compound. The physical properties of obtained ethyl 2-chloro-4,5-difluorobenzoylacetate were as follows. From the results of the NMR analysis in chloroform-d1, this compound was found to be a mixture of a keto form and an enol-form. ##STR26##

후처리

  1. temperaturethe mixture was refluxed for three hours under vigorous stirring
  2. temperatureAfter cooling
  3. extractionthe reaction mixture was extracted three times with 150 cc of methylene chloride
  4. washthe extract was washed with a saturated sodium chloride aqueous solution
  5. dry with materialdried over anhydrous sodium sulfate
  6. concentrationconcentrated
  7. customrecrystallized from methylene chloride/n-hexane

출처 및 근거

ORD 기록
ord-6833262224de45cb9144734739a33e5b
출처 데이터셋
uspto-grants-1991_11
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US05068449

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