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Sodium hydride → (S)-tert-butyl 3-((2-cyano-3-nitrophenoxy)methyl)piperidine-1-carboxylate

HRID 332942
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HRID 332942 반응식
[H-].[Na+].[OH:3][CH2:4][C@H:5]1[CH2:10][CH2:9][CH2:8][N:7]([C:11]([O:13][C:14]([CH3:17])([CH3:16])[CH3:15])=[O:12])[CH2:6]1.[N+:18]([C:21]1[CH:28]=[CH:27][CH:26]=[C:25]([N+]([O-])=O)[C:22]=1[C:23]#[N:24])([O-:20])=[O:19]>C1COCC1.CN(C=O)C>[C:23]([C:22]1[C:21]([N+:18]([O-:20])=[O:19])=[CH:28][CH:27]=[CH:26][C:25]=1[O:3][CH2:4][C@H:5]1[CH2:10][CH2:9][CH2:8][N:7]([C:11]([O:13][C:14]([CH3:17])([CH3:16])[CH3:15])=[O:12])[CH2:6]1)#[N:24]
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참가 물질

6

반응물 3

HCID 24758Sodium hydrideHCID 520718DinitrobenzonitrileHCID 1514448tert-Butyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate

생성물 1

HCID 86714272(S)-tert-butyl 3-((2-cyano-3-nitrophenoxy)methyl)piperidine-1-carboxylate수율 124.3%

시약·촉매·용매 2

HCID 6228Dimethylformamide용매
HCID 8028
Tetrahydrofuran
용매
2회

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온도
-70 °C

실험 절차

To a 2 L 3-neck round bottom flask outfitted with an addition funnel and thermometer were added anhydrous THF (700 mL) and NaH (60 wt %, 3.90 g, 97.5 mmol). The suspension was cooled in an isopropanol/dry ice bath until the internal temperature was about −20° C. (S)-tert-butyl 3-(hydroxymethyl)piperidine-1-carboxylate (20.0 g, 92.9 mmol) dissolved in anhydrous THF (300 mL) was added dropwise via the addition funnel maintaining the internal temperature between −20° C. to −15° C. Once the addition was complete, the reaction was stirred for 45 minutes at a temperature between 0° C. to 10° C. The reaction was then cooled to −70° C. and a solution of 2,6-dinitrobenzonitrile (19.9 g, 103 mmol) in anhydrous DMF (200 mL) was added dropwise via the addition funnel. The reaction was allowed to warm up gradually to room temperature overnight and THF was removed under reduced pressure. The remaining solution was cooled in an ice bath and treated with a cooled saturated NH4Cl solution (200 mL). The resulting mixture was diluted with EtOAc and successively washed with water and brine. The organic layer was dried over Na2SO4, filtered and evaporated under reduced pressure to afford crude (S)-tert-butyl 3-((2-cyano-3-nitrophenoxy)methyl)piperidine-1-carboxylate (41.74 g) as an orange solid. MS 262 (MH+-Boc). This material was used without purification in the next step.

후처리

  1. customTo a 2 L 3-neck round bottom flask outfitted with an addition funnel
  2. temperatureThe suspension was cooled in an isopropanol/dry ice bath until the internal temperature
  3. customwas about −20° C.
  4. additionwas added dropwise via the addition funnel
  5. temperaturemaintaining the internal temperature between −20° C. to −15° C
  6. additionOnce the addition
  7. temperatureto warm up gradually to room temperature overnight
  8. customTHF was removed under reduced pressure
  9. temperatureThe remaining solution was cooled in an ice bath
  10. additiontreated with a cooled saturated NH4Cl solution (200 mL)
  11. additionThe resulting mixture was diluted with EtOAc
  12. washsuccessively washed with water and brine
  13. dry with materialThe organic layer was dried over Na2SO4
  14. filtrationfiltered
  15. customevaporated under reduced pressure

출처 및 근거

ORD 기록
ord-d0c092b5ed864bb8ac176e8324583ed2
출처 데이터셋
uspto-grants-2014_11
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08877922B2

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