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Tetrahydrofuran → 1-[1-(2,4-Dichlorophenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazol-6-yl]-N,N-dimethylpropan-1-amine

HRID 1628768
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HRID 1628768 반응식
[CH2:1]([Mg]Br)[CH3:2].[Cl:5][C:6]1[CH:11]=[C:10]([Cl:12])[CH:9]=[CH:8][C:7]=1[N:13]1[C:18]2=[N:19][C:20]3[C:21](=[C:22]([C:26]#N)[CH:23]=[CH:24][CH:25]=3)[N:17]2[CH2:16][CH2:15][CH2:14]1.[BH4-].[Na+].[C:30]([BH3-])#[N:31].[Na+].O1CCC[CH2:35]1>C(=O)([O-])O.[Na+]>[Cl:5][C:6]1[CH:11]=[C:10]([Cl:12])[CH:9]=[CH:8][C:7]=1[N:13]1[C:18]2=[N:19][C:20]3[CH:25]=[CH:24][CH:23]=[C:22]([CH:26]([N:31]([CH3:30])[CH3:35])[CH2:1][CH3:2])[C:21]=3[N:17]2[CH2:16][CH2:15][CH2:14]1
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7

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HCID 8028TetrahydrofuranHCID 4311764Sodium borohydrideHCID 5003444Sodium cyanoborohydrideHCID 577858151-(2,4-Dichlorophenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole-6-carbonitrileHCID 178418443HCID 178418443, 화합물

생성물 1

HCID 57785844
1-[1-(2,4-Dichlorophenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazol-6-yl]-N,N-dimethylpropan-1-amine
수율 18%

시약·촉매·용매 1

HCID 516892Sodium Bicarbonate용매

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온도
50 °C

실험 절차

Ethylmagnesium bromide (3.0 M solution in diethyl ether, 3.19 mL, 9.57 mmol) was added to a stirred solution of 1-(2,4-dichlorophenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole-6-carbonitrile (1.64 g, 4.78 mmol) in tetrahydrofuran (15 mL) at 0° C., and the mixture was stirred at 50° C. for 2 hr. The reaction was quenched by water, and the mixture was extracted with ethyl acetate. The combined organic layer was washed with brine, dried over anhydrous magnesium sulfate, filtered, and concentrated in vacuo. Sodium borohydride (361 mg, 9.54 mmol) was added to a stirred solution of the resulting imine, and the mixture was stirred at room temperature for 2 hr. The reaction was quenched by aqueous saturated ammonium chloride and the mixture was extracted with ethyl acetate. The combined organic layer was washed with brine, dried over anhydrous magnesium sulfate, filtered, and concentrated in vacuo. Formaldehyde (36-38% solution in water, 678 mg) was added to a solution of the resulting benzylamine (510 mg) in acetonitrile (4.0 mL). After 5 min sodium cyanoborohydride (510 mg, 8.14 mmol) was added to the mixture, and the mixture was stirred at room temperature for 3 hr. The mixture was diluted with saturated aqueous sodium hydrogen carbonate and extracted with ethyl acetate. The combined organic layer was washed with brine, dried over anhydrous magnesium sulfate, filtered and concentrated in vacuo. The residue was purified by flash column chromatography on silica gel eluting with a 5-50% ethyl acetate/n-hexane gradient mixture. The filtrate was concentrated in vacuo to give the solid, which was recrystallized from ethyl acetate/diisopropyl ether to give the title compound as a colorless crystal (100 mg, 0.248 mmol, 18% in 3 steps).

후처리

  1. customThe reaction was quenched by water
  2. extractionthe mixture was extracted with ethyl acetate
  3. washThe combined organic layer was washed with brine
  4. dry with materialdried over anhydrous magnesium sulfate
  5. filtrationfiltered
  6. concentrationconcentrated in vacuo
  7. stirringthe mixture was stirred at room temperature for 2 hr
  8. customThe reaction was quenched by aqueous saturated ammonium chloride
  9. extractionthe mixture was extracted with ethyl acetate
  10. washThe combined organic layer was washed with brine
  11. dry with materialdried over anhydrous magnesium sulfate
  12. filtrationfiltered
  13. concentrationconcentrated in vacuo
  14. additionFormaldehyde (36-38% solution in water, 678 mg) was added to a solution of the resulting benzylamine (510 mg) in acetonitrile (4.0 mL)
  15. stirringthe mixture was stirred at room temperature for 3 hr
  16. extractionextracted with ethyl acetate
  17. washThe combined organic layer was washed with brine
  18. dry with materialdried over anhydrous magnesium sulfate
  19. filtrationfiltered
  20. concentrationconcentrated in vacuo
  21. customThe residue was purified by flash column chromatography on silica gel eluting with a 5-50% ethyl acetate/n-hexane gradient mixture
  22. concentrationThe filtrate was concentrated in vacuo
  23. customto give the solid, which
  24. customwas recrystallized from ethyl acetate/diisopropyl ether

출처 및 근거

ORD 기록
ord-de0320afab1941d7aa39be11ef5ee048
출처 데이터셋
uspto-grants-2014_07
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08785460B2

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