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Triethyl phosphonoacetate → Ethyl 2-(diethoxyphosphinyl)-5-hexenoate

HRID 1022960
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HRID 1022960 반응식
[H-].[Na+].[CH2:3]([O:5][P:6]([CH2:11][C:12]([O:14][CH2:15][CH3:16])=[O:13])([O:8][CH2:9][CH3:10])=[O:7])[CH3:4].Br[CH2:18][CH2:19][CH:20]=[CH2:21]>O1CCCC1>[CH2:9]([O:8][P:6]([CH:11]([CH2:21][CH2:20][CH:19]=[CH2:18])[C:12]([O:14][CH2:15][CH3:16])=[O:13])([O:5][CH2:3][CH3:4])=[O:7])[CH3:10]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

5

반응물 3

HCID 13345Triethyl phosphonoacetateHCID 21241Homoallyl bromideHCID 24758Sodium hydride

생성물 1

HCID 14217021Ethyl 2-(diethoxyphosphinyl)-5-hexenoate수율 97.3%

시약·촉매·용매 1

HCID 8028Tetrahydrofuran용매

실험 절차

Sodium hydride (60% in oil, 65.0 g) was suspended in tetrahydrofuran (800 mL) under a nitrogen atmosphere, and ethyl (diethoxyphosphoryl)acetate (200 g) was added dropwise at room temperature over 30 min. After the completion of the dropwise addition, the mixture was further stirred by a mechanical stirrer for 30 min. 4-Bromobut-1-ene (217 g) was added dropwise to the reaction mixture over 30 min. The reaction mixture was heated under reflux for 5 hr, allowed to cool to room temperature, and quenched by adding 1M aqueous ammonium chloride solution (300 mL). The mixture was concentrated under reduced pressure, to the residue were added water (500 mL) and diethylether (500 mL), and the mixture was partitioned. The aqueous layer was saturated with sodium chloride, and the mixture was extracted with diethylether (500 mL×2). The combined extracts were washed with brine, and dried over anhydrous sodium sulfate. Insoluble material was filtered off, and the filtrate was concentrated under reduced pressure to give a crude product (241.6 g) of the title compound as a yellow oil. This was used for the next reaction without further purification.

후처리

  1. additionAfter the completion of the dropwise addition
  2. temperatureThe reaction mixture was heated
  3. temperatureunder reflux for 5 hr
  4. customquenched
  5. additionby adding 1M aqueous ammonium chloride solution (300 mL)
  6. concentrationThe mixture was concentrated under reduced pressure, to the residue
  7. additionwere added water (500 mL) and diethylether (500 mL)
  8. customthe mixture was partitioned
  9. extractionthe mixture was extracted with diethylether (500 mL×2)
  10. washThe combined extracts were washed with brine
  11. dry with materialdried over anhydrous sodium sulfate
  12. filtrationInsoluble material was filtered off
  13. concentrationthe filtrate was concentrated under reduced pressure

출처 및 근거

ORD 기록
ord-d8a923f8dad84588a3e7b67075994cc0
출처 데이터셋
uspto-grants-2014_05
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08722660B2

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