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Hydrochloric Acid → N-{6-[4-(4-benzyl-2-oxopiperazin-1-ylmethyl)phenoxy]pyridin-3-yl}-3,4-dichlorobenzamide dihydrochloride

HRID 884177
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HRID 884177 반응식
[CH2:1]([N:8]1[CH2:13][CH2:12][NH:11][C:10](=[O:14])[CH2:9]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[H-].[Na+].[Cl:17][CH2:18][C:19]1[CH:34]=[CH:33][C:22]([O:23][C:24]2[CH:29]=[CH:28][C:27]([N+:30]([O-])=O)=[CH:26][N:25]=2)=[CH:21][CH:20]=1.C(N(CC)CC)C.[Cl:42][C:43]1[CH:44]=[C:45]([CH:49]=[CH:50][C:51]=1[Cl:52])[C:46](Cl)=[O:47].C(=O)(O)[O-].[Na+].Cl.C(OCC)(=O)C>CN(C=O)C.[Cl-].[Na+].O.[Fe]>[ClH:17].[ClH:42].[CH2:1]([N:8]1[CH2:13][CH2:12][N:11]([CH2:18][C:19]2[CH:34]=[CH:33][C:22]([O:23][C:24]3[N:25]=[CH:26][C:27]([NH:30][C:46](=[O:47])[C:45]4[CH:49]=[CH:50][C:51]([Cl:52])=[C:43]([Cl:42])[CH:44]=4)=[CH:28][CH:29]=3)=[CH:21][CH:20]=2)[C:10](=[O:14])[CH2:9]1)[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

12

반응물 8

HCID 313Hydrochloric AcidHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 24758Sodium hydrideHCID 76403Benzoyl chloride, 3,4-dichloro-HCID 516892Sodium BicarbonateHCID 114581771-Benzyl-3-oxopiperazine
HCID 68526143
2-(4-Chloromethylphenoxy)-5-nitropyridine

생성물 1

HCID 68525454N-{6-[4-(4-benzyl-2-oxopiperazin-1-ylmethyl)phenoxy]pyridin-3-yl}-3,4-dichlorobenzamide dihydrochloride

시약·촉매·용매 3

HCID 23925Iron촉매HCID 6228Dimethylformamide용매HCID 57417360Sodium chloride; water용매

실험 절차

To a solution of 4-benzylpiperazin-2-one (0.56 g, 2.95 mmol) in DMF (10 mL) was added 60% sodium hydride (0.12 g, 2.95 mmol), and this solution was stirred at room temperature for 30 minutes. 2-(4-chloromethylphenoxy)-5-nitropyridine (0.78 g, 2.95 mmol) was added to the reaction mixture, and the mixture was stirred for 1 hour at room temperature. To this mixture was added brine (50 mL), and extracted with ethyl acetate (50 mL). The ethyl acetate layer was washed with brine, dried over anhydrous magnesium sulfate, and evaporated under reduced pressure. The remaining oil was dissolved in ethyl acetate (5 mL), and to the resulting solution was added iron powder (0.33 g, 5.89 mmol). This solution was stirred for 2 hours at room temperature. The resulting reaction solution was concentrated under reduced pressure, and a saturated sodium bicarbonate solution (50 mL) was added to the residue. The obtained mixture was extracted with ethyl acetate (50 mL). The ethyl acetate layer was washed with brine, dried over anhydrous sodium sulfate, and evaporated. The remaining oil was dissolved in THF (10 mL). To the resulting solution were added triethylamine (0.21 mL, 1.47 mmol) and 3,4-dichlorobenzoyl chloride (0.31 mL, 1.47 mmol), and this solution was stirred at room temperature for 2 hours. A saturated sodium bicarbonate solution (50 mL) was added to the solution, and extracted with ethyl acetate (50 mL). The ethyl acetate layer was washed with brine, dried over anhydrous magnesium sulfate, and evaporated under reduced pressure. The residue was purified by silica gel column chromatography (chloroform:methanol=40:1). The obtained oil was dissolved in ethyl acetate (5 mL), and to the resulting solution was added a solution of 4 N hydrogen chloride in ethyl acetate (1.5 mL, 6 mmol). The formed white powder was collected by suction filtration, to thereby yield 0.045 g of the title compound.

후처리

  1. stirringthe mixture was stirred for 1 hour at room temperature
  2. extractionextracted with ethyl acetate (50 mL)
  3. washThe ethyl acetate layer was washed with brine
  4. dry with materialdried over anhydrous magnesium sulfate
  5. customevaporated under reduced pressure
  6. dissolutionThe remaining oil was dissolved in ethyl acetate (5 mL)
  7. stirringThis solution was stirred for 2 hours at room temperature
  8. customThe resulting reaction solution
  9. concentrationwas concentrated under reduced pressure
  10. additiona saturated sodium bicarbonate solution (50 mL) was added to the residue
  11. extractionThe obtained mixture was extracted with ethyl acetate (50 mL)
  12. washThe ethyl acetate layer was washed with brine
  13. dry with materialdried over anhydrous sodium sulfate
  14. customevaporated
  15. dissolutionThe remaining oil was dissolved in THF (10 mL)
  16. stirringthis solution was stirred at room temperature for 2 hours
  17. extractionextracted with ethyl acetate (50 mL)
  18. washThe ethyl acetate layer was washed with brine
  19. dry with materialdried over anhydrous magnesium sulfate
  20. customevaporated under reduced pressure
  21. customThe residue was purified by silica gel column chromatography (chloroform:methanol=40:1)
  22. dissolutionThe obtained oil was dissolved in ethyl acetate (5 mL)
  23. filtrationThe formed white powder was collected by suction filtration

출처 및 근거

ORD 기록
ord-61a981c313c349f2a4bde6249538d2be
출처 데이터셋
uspto-grants-2012_08
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08236826B2

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