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2-Bromo-N,N-dimethylacetamide → Bis(2,2,2-trifluoroethyl) 2-(dimethylamino)-2-oxoethylphosphonate

HRID 1959160
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HRID 1959160 반응식
CC(C)([O-])C.[K+].[F:7][C:8]([F:20])([F:19])[CH2:9][O:10][P:11]([O-:18])[O:12][CH2:13][C:14]([F:17])([F:16])[F:15].Br[CH2:22][C:23]([N:25]([CH3:27])[CH3:26])=[O:24]>C1COCC1>[CH3:26][N:25]([CH3:27])[C:23](=[O:24])[CH2:22][P:11](=[O:18])([O:12][CH2:13][C:14]([F:17])([F:15])[F:16])[O:10][CH2:9][C:8]([F:7])([F:19])[F:20]
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참가 물질

5

반응물 3

HCID 2255442-Bromo-N,N-dimethylacetamideHCID 22315069Bis(2,2,2 trifluoroethyl)phosphiteHCID 23665647Potassium tert-butoxide

생성물 1

HCID 53663451Bis(2,2,2-trifluoroethyl) 2-(dimethylamino)-2-oxoethylphosphonate수율 41%

시약·촉매·용매 1

HCID 8028Tetrahydrofuran용매

실험 절차

Bis(2,2,2 trifluoroethyl)phosphite (5.0 mmol, 0.79 mL) was added to a solution of sodium hydride (0.420 g, 0.018 mol) and HMPA (8.6 mmol, 1.5 mL) at 10° C. in THF (20 mL). Immediately after addition, 2-bromo-N,N-dimethylacetamide (3.9 mmol) was added dropwise. The reaction temperature was maintained at 10° C. for 4.5 hours. The reaction was then quenched with saturated aqueous ammonium chloride (2 mL) and standard aqueous work-up was performed. Final purification by flash column chromatography (silica gel, 80% hexane, 20% ethyl acetate) yielded the desired compound (34%) as a colorless oil. c). To a solution of potassium tert-butoxide (705 mg, 6.33 mmol) in anhydrous THF (25 mL) at 0° C., bis(2,2,2-trifluoroethyl)phosphite (1.00 mL, 6.33 mmol) was added. 2-bromo-N,N-dimethylacetamide (12.66 mmol) was then added by syringe. Upon completion of the addition step, the reaction was allowed to proceed for one hour with monitoring by TLC. The reaction was then quenched with a saturated solution of aqueous ammonium chloride (20 mL). The aqueous phase was extracted with diethyl ether (3×20 mL). The combined organic extracts were washed with water (3×20 mL) and with a saturated sodium chloride solution (1×20 mL). The solvent was removed by rotary evaporation and the crude material was further concentrated under oil pump vacuum. The final product was purified by column chromatography (silica gel, 2:1 hexanes/ethyl acetate) yielding the desired compound (41%). (ii) From bis-(2,2,2-trifluoroethyl)phosphonoacetic acid.

후처리

  1. additionUpon completion of the addition step
  2. customThe reaction was then quenched with a saturated solution of aqueous ammonium chloride (20 mL)
  3. extractionThe aqueous phase was extracted with diethyl ether (3×20 mL)
  4. washThe combined organic extracts were washed with water (3×20 mL) and with a saturated sodium chloride solution (1×20 mL)
  5. customThe solvent was removed by rotary evaporation
  6. concentrationthe crude material was further concentrated under oil pump vacuum
  7. customThe final product was purified by column chromatography (silica gel, 2:1 hexanes/ethyl acetate)

출처 및 근거

ORD 기록
ord-d7e063560afa495db235f4619d8f49ee
출처 데이터셋
uspto-grants-2013_04
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08410176B2

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