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Pyridine → (S)-tert-butyl 1-cyano-2-(3'-methylbiphenyl-4-yl)ethylcarbamate

HRID 333340
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HRID 333340 반응식
[C:1]([O:5][C:6]([NH:8][C@@H:9]([CH2:13][C:14]1[CH:19]=[CH:18][C:17]([C:20]2[CH:25]=[CH:24][CH:23]=[C:22]([CH3:26])[CH:21]=2)=[CH:16][CH:15]=1)[C:10](O)=O)=[O:7])([CH3:4])([CH3:3])[CH3:2].ClC(OCC)=O.C([N:35](CC)CC)C.C(OC(C(F)(F)F)=O)(C(F)(F)F)=O.N1C=CC=CC=1>C1COCC1>[C:10]([C@@H:9]([NH:8][C:6](=[O:7])[O:5][C:1]([CH3:4])([CH3:3])[CH3:2])[CH2:13][C:14]1[CH:19]=[CH:18][C:17]([C:20]2[CH:25]=[CH:24][CH:23]=[C:22]([CH3:26])[CH:21]=2)=[CH:16][CH:15]=1)#[N:35]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

7

반응물 5

HCID 1049PyridineHCID 8471TriethylamineHCID 9845Trifluoroacetic anhydrideHCID 10928Ethyl chloroformateHCID 68751848Boc-4-(3-methylphenyl)-L-phenylalanine

생성물 1

HCID 68750114(S)-tert-butyl 1-cyano-2-(3'-methylbiphenyl-4-yl)ethylcarbamate

시약·촉매·용매 1

HCID 8028Tetrahydrofuran용매

실험 절차

To a solution of (S)-2-(tert-butoxycarbonylamino)-3-(3′-methylbiphenyl-4-yl)propanoic acid (1.37 g, 3.85 mmol) in THF (25 mL) were added ethyl chloroformate (0.407 mL, 4.24 mmol) and triethylamine (0.591 mL, 4.24 mmol) at room temperature. After being stirred for 0.5 hours, the resultant precipitate was removed by filtration. The filtrate was treated with ammonium hydroxide (10 mL) and stirred for 1.5 hours at room temperature. The reaction mixture was diluted with EtOAc and washed with H2O and brine. The organic layer was dried over Na2SO4 and concentrated under reduced pressure. The obtained residue was dissolved in THF (25 mL). TFAA (0.817 mL, 5.81 mmoL) and pyridine (0.935 mL, 11.56 mmol) were added at −10° C. and stirred for 2 hours. The reaction was quenched with saturated NaHCO3 aqueous solution. The mixture was extracted with EtOAc and washed with brine. The organic layer was dried over Na2SO4, concentrated under reduced pressure, and purified by silica gel flash column chromatography (EtOAc/heptane) to give (S)-tert-butyl 1-cyano-2-(3′-methylbiphenyl-4-yl)ethylcarbamate. 1H NMR (400 MHz, CDCl3) δ 1.45 (s, 9H), 2.42 (s, 3.04-3.19 (m, 2H), 4.68-4.94 (m, 2H), 7.17 (d, J=7.58 Hz, 1H), 7.31-7.41 (m, 5H), 7.59 (d, J=8.08 Hz, 2H); MS: m/z (MH+) 337; Retention time=1.60 min. (condition A).

후처리

  1. customthe resultant precipitate was removed by filtration
  2. additionThe filtrate was treated with ammonium hydroxide (10 mL)
  3. stirringstirred for 1.5 hours at room temperature
  4. additionThe reaction mixture was diluted with EtOAc
  5. washwashed with H2O and brine
  6. dry with materialThe organic layer was dried over Na2SO4
  7. concentrationconcentrated under reduced pressure
  8. dissolutionThe obtained residue was dissolved in THF (25 mL)
  9. stirringstirred for 2 hours
  10. customThe reaction was quenched with saturated NaHCO3 aqueous solution
  11. extractionThe mixture was extracted with EtOAc
  12. washwashed with brine
  13. dry with materialThe organic layer was dried over Na2SO4
  14. concentrationconcentrated under reduced pressure
  15. custompurified by silica gel flash column chromatography (EtOAc/heptane)

출처 및 근거

ORD 기록
ord-35a79c66018e4b59af39fcba6f1d2f27
출처 데이터셋
uspto-grants-2014_11
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08877815B2

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