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Imidazole → HCID 49820308, 화합물

HRID 473246
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HRID 473246 반응식
[F:1][C@:2]1([CH3:18])[C@H:6]([OH:7])[C@@H:5]([CH2:8][OH:9])[O:4][C@H:3]1[N:10]1[CH:17]=[CH:16][C:14](=[O:15])[NH:13][C:11]1=[O:12].COC1C=CC(C(Cl)(C2C=CC=CC=2)C2C=CC(OC)=CC=2)=CC=1.N1C=CN=C1.[Si:48](Cl)([C:51]([CH3:54])([CH3:53])[CH3:52])([CH3:50])[CH3:49].FC(F)(F)C(O)=O.[OH-].[NH4+]>N1C=CC=CC=1.ClCCl.CO.O>[Si:48]([O:7][C@@H:6]1[C@@H:5]([CH2:8][OH:9])[O:4][C@@H:3]([N:10]2[CH:17]=[CH:16][C:14](=[O:15])[NH:13][C:11]2=[O:12])[C@@:2]1([F:1])[CH3:18])([C:51]([CH3:54])([CH3:53])[CH3:52])([CH3:50])[CH3:49]
참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트

참가 물질

11

반응물 6

HCID 795ImidazoleHCID 6422Trifluoroacetic acidHCID 14923Ammonium HydroxideHCID 28928tert-Butyldimethylsilyl chlorideHCID 968311,1'-(Chlorophenylmethylene)bis(4-methoxybenzene)HCID 113115032'-Deoxy-2'-fluoro-2'-methyluridine

생성물 1

HCID 49820308
HCID 49820308, 화합물
수율 52.1%

시약·촉매·용매 4

HCID 887Methanol용매3회HCID 962Water용매HCID 1049Pyridine용매HCID 6344Dichloromethane용매2회

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온도
0 °C

실험 절차

To a solution of 3 (10.0 g, 38.43 mmol) in pyridine (50 mL) were added dichloromethane (50 mL). The solution was cooled to 0° C. To the solution was added 4,4′-dimethoxytrityl chloride (14.32 g, 42.27 mmol) and the solution was stirred at 0° C. for 5 h. Methanol (5 mL) was added to quench the reaction. The solution was concentrated to dryness under reduced pressure and the residue was partitioned between ethyl acetate (500 mL) and water (50 mL). The organic solution was washed with brine (50 mL) and dried (sodium sulfate, 4 g). The solvent was removed under reduced pressure and the residue was dissolved in dichloromethane (100 mL). To the solution were added imidazole (7.83 g, 115 mmol) and t-butyldimethylsilyl chloride (8.68 g, 57.6 mmol). The solution was stirred at ambient temperature for 16 h. Methanol was added to quench the reaction (5 mL) and the solvent was removed under reduced pressure and the residue was partitioned between ethyl acetate (500 mL) and water (50 mL). The organic solution was dried (sodium sulfate, 4 g) and evaporated under reduced pressure. The residue was purified by column chromatography (10-40% EtOAc in Hexane) to give 5′-β-DMT-3′-O-tBDMS intermediate product. This is turn was treated with 1% trifluoroacetic acid in dichloromethane (200 mL). The solution was stirred at ambient temperature for 1 h. Water (20 mL) was added and the solution was stirred at ambient for another 1 h. Methanol (5 mL) was slowly added and the solution was stirred at ambient for another 1 h. Ammonium hydroxide was added to adjust the solution pH to 7. The organic solution was separated, dried (sodium sulfate, 4 g) and evaporated to dryness under reduced pressure. The residue was purified by silica gel column chromatography (1-5% methanol in dichloromethane) to give 12 as a white solid 7.5 g in 50% yield over the three steps. 1H NMR (DMSO-d6) δ (ppm) 11.48 (br s, 1H, NH), 7.94 (d, 1H, H-6), 6.00 (d, 1H, H-1′), 5.69 (d, 1H, H-5), 4.06 (dd, 1H, 3′-H), 3.85 (m, 2H, H-5′a, H-4′), 3.58 (br d, 1H, H-5′ b), 1.27 (d, 3 H, 2-CH3), 0.89 (s, 9H, C(CH3)3), 0.12 (s, 6H, Si(CH3)2).

후처리

  1. customto quench
  2. customthe reaction
  3. concentrationThe solution was concentrated to dryness under reduced pressure
  4. customthe residue was partitioned between ethyl acetate (500 mL) and water (50 mL)
  5. washThe organic solution was washed with brine (50 mL)
  6. dry with materialdried (sodium sulfate, 4 g)
  7. customThe solvent was removed under reduced pressure
  8. dissolutionthe residue was dissolved in dichloromethane (100 mL)
  9. stirringThe solution was stirred at ambient temperature for 16 h
  10. customto quench
  11. customthe reaction (5 mL)
  12. customthe solvent was removed under reduced pressure
  13. customthe residue was partitioned between ethyl acetate (500 mL) and water (50 mL)
  14. dry with materialThe organic solution was dried (sodium sulfate, 4 g)
  15. customevaporated under reduced pressure
  16. customThe residue was purified by column chromatography (10-40% EtOAc in Hexane)
  17. customto give 5′-β-DMT-3′-O-tBDMS intermediate product
  18. stirringThe solution was stirred at ambient temperature for 1 h
  19. stirringthe solution was stirred at ambient for another 1 h
  20. stirringthe solution was stirred at ambient for another 1 h
  21. customThe organic solution was separated
  22. dry with materialdried (sodium sulfate, 4 g)
  23. customevaporated to dryness under reduced pressure
  24. customThe residue was purified by silica gel column chromatography (1-5% methanol in dichloromethane)

출처 및 근거

ORD 기록
ord-852b2f60542244f08569609f62e60dc0
출처 데이터셋
uspto-grants-2014_01
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08633309B2

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