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Dimethylformamide → tert-Butyl 4-{3-[4-(4-fluorobenzyl)-3-oxopiperazin-1-yl]-3-oxopropyl}piperidine-1-carboxylate

HRID 2109851
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HRID 2109851 반응식
[C:1]([N:8]1[CH2:13][CH2:12][CH:11]([CH:14]([CH3:18])C(O)=O)[CH2:10][CH2:9]1)([O:3][C:4]([CH3:7])([CH3:6])[CH3:5])=[O:2].Cl.CN(C)CCCN=C=NCC.ON1C2N=CC=CC=2N=N1.[F:41][C:42]1[CH:55]=[CH:54][C:45]([CH2:46][N:47]2[CH2:52][CH2:51][NH:50][CH2:49][C:48]2=[O:53])=[CH:44][CH:43]=1.CN([CH:59]=[O:60])C>>[F:41][C:42]1[CH:55]=[CH:54][C:45]([CH2:46][N:47]2[CH2:52][CH2:51][N:50]([C:59](=[O:60])[CH2:18][CH2:14][CH:11]3[CH2:10][CH2:9][N:8]([C:1]([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])=[O:2])[CH2:13][CH2:12]3)[CH2:49][C:48]2=[O:53])=[CH:44][CH:43]=1
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참가 물질

6

반응물 5

HCID 6228Dimethylformamide2회HCID 181649HOAtHCID 27239391,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochlorideHCID 177818912-[1-(Tert-butoxycarbonyl)piperidin-4-yl]propanoic acidHCID 185386381-(4-Fluorobenzyl)piperazin-2-one

생성물 1

HCID 57634639
tert-Butyl 4-{3-[4-(4-fluorobenzyl)-3-oxopiperazin-1-yl]-3-oxopropyl}piperidine-1-carboxylate

실험 절차

To a solution of 1-boc-piperidin-4-ylpropionic acid (1.20 g, 4.7 mmol, Astatech) in DMF (10 mL), 1-(3-dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride (1.16 g, 6.1 mmol) and 1-hydroxy-7-azabenzotriazole (0.83 g, 6.1 mmol) were added and the solution was stirred at room temperature for 30 min. To the resultant solution, a solution of 1-(4-fluorobenzyl)piperazin-2-one (1.07 g, 5.1 mmol, see Example 31, Steps 5-8) in DMF (2 mL) was added and the mixture was stirred for two hours. The product mixture was concentrated under vacuum, and the residue partitioned between water and ethyl acetate. The combined organic extracts were washed with brine, dried over anhydrous sodium sulfate, filtered, and concentrated under reduced pressure. The residue was purified by flash column chromatography (ISCO column, 120 g silica gel) eluting with a 0-6% MeOH/CHCl3 gradient over 40 min. Collection and concentration of appropriate fractions provided the coupled product as a white solid.

후처리

  1. stirringthe mixture was stirred for two hours
  2. concentrationThe product mixture was concentrated under vacuum
  3. customthe residue partitioned between water and ethyl acetate
  4. washThe combined organic extracts were washed with brine
  5. dry with materialdried over anhydrous sodium sulfate
  6. filtrationfiltered
  7. concentrationconcentrated under reduced pressure
  8. customThe residue was purified by flash column chromatography (ISCO column, 120 g silica gel)
  9. washeluting with a 0-6% MeOH/CHCl3 gradient over 40 min
  10. customCollection and concentration of appropriate fractions

출처 및 근거

ORD 기록
ord-ae165f3ae2584ab292a1bdd94fcc904e
출처 데이터셋
uspto-grants-2009_04
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07517532B2

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