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Potassium Hydroxide → tert-Butyl 4-(4-bromo-1-(2-hydroxyethyl)-1H-imidazol-2-yl)piperidine-1-carboxylate

HRID 2283940
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HRID 2283940 반응식
[Br:1][C:2]1[N:3]=[C:4]([CH:7]2[CH2:12][CH2:11][N:10]([C:13]([O:15][C:16]([CH3:19])([CH3:18])[CH3:17])=[O:14])[CH2:9][CH2:8]2)[NH:5][CH:6]=1.[OH-].[K+].Br[CH2:23][CH2:24][O:25]C1CCCCO1.O.C1(C)C=CC(S(O)(=O)=O)=CC=1>CS(C)=O.C(OCC)(=O)C>[Br:1][C:2]1[N:3]=[C:4]([CH:7]2[CH2:8][CH2:9][N:10]([C:13]([O:15][C:16]([CH3:19])([CH3:18])[CH3:17])=[O:14])[CH2:11][CH2:12]2)[N:5]([CH2:23][CH2:24][OH:25])[CH:6]=1
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참가 물질

7

반응물 4

HCID 14797Potassium HydroxideHCID 866212-(2-Bromoethoxy)tetrahydro-2H-pyranHCID 521998p-Toluenesulfonic acid monohydrateHCID 178451789HCID 178451789, 화합물

생성물 1

HCID 67265139tert-Butyl 4-(4-bromo-1-(2-hydroxyethyl)-1H-imidazol-2-yl)piperidine-1-carboxylate수율 61.6%

시약·촉매·용매 2

HCID 679
Dimethyl Sulfoxide
용매
HCID 8857Ethyl Acetate용매2회

실험 절차

A suspension of tert-butyl 4-(4-bromo-1H-imidazol-2-yl)piperidine-1-carboxylate (36.0 g, 109.02 mmol) in dry DMSO (400 mL) was treated with KOH (36.0 g, 641.60 mmol, 4.5 eq), and the contents became a clear-yellow solution after 20-30 min. After 90 min, the solution was treated with 2-(2-bromoethoxy)terahydropyran (36.0 g, 172.18 mmol, 1.2 eq). The reaction was deemed complete after 4 h by LCMS data, so the contents were diluted with ethyl acetate (800 mL) and washed with brine (3×800 mL). The organics were dried over sodium sulfate and concentrated to an oil with an approximate 8:1 ratio of regioisomers and the major isomer is the desired one. The oil was redissolved in methanol (400 mL) and treated with p-toluenesulfonic acid monohydrate (32.11 g, 168.80 mmol, 1.5 eq). The contents were stirred at room temp for 20 min, poured into ethyl acetate (500 mL) and washed with aqueous potassium carbonate (400 mL), followed by brine (2×400 mL). The organics were dried over sodium sulfate and concentrated to a colorless oil that was further dried under vacuum for 60 min. The resultant, thick oil was suspended in diethyl ether (200 mL) and rolled in an ice-water-salt bath for 90 min. A white solid precipitated, which was filtered and dried under vacuum for 30 min to give the title compound (25.15 g, 67.20 mmol, 62%, >96% by NMR and LCMS data).

후처리

  1. customafter 20-30 min
  2. waitThe reaction was deemed complete after 4 h by LCMS data, so the contents
  3. washwashed with brine (3×800 mL)
  4. dry with materialThe organics were dried over sodium sulfate
  5. concentrationconcentrated to an oil with an approximate 8:1 ratio of regioisomers
  6. dissolutionThe oil was redissolved in methanol (400 mL)
  7. washwashed with aqueous potassium carbonate (400 mL)
  8. dry with materialThe organics were dried over sodium sulfate
  9. concentrationconcentrated to a colorless oil that
  10. customwas further dried under vacuum for 60 min
  11. waitrolled in an ice-water-salt bath for 90 min
  12. customA white solid precipitated
  13. filtrationwhich was filtered
  14. customdried under vacuum for 30 min

출처 및 근거

ORD 기록
ord-79be80aab7894417a52039b5c2a9ce71
출처 데이터셋
uspto-grants-2015_09
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09145392B2

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