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Sodium Thiosulfate → 2-(difluoro(5-fluoropyridin-2-yl)methyl)-8-ethyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine

HRID 473188
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HRID 473188 반응식
[F:1][C:2]([F:24])([C:17]1[CH:22]=[CH:21][C:20]([F:23])=[CH:19][N:18]=1)[C:3]1[N:12]=[C:11](SC)[C:10]2[C:5](=[C:6]([CH2:15][CH3:16])[CH:7]=[CH:8][CH:9]=2)[N:4]=1.ClC1C=CC=C(C(OO)=O)C=1.S([O-])([O-])(=O)=S.[Na+].[Na+].C(=O)(O)[O-].[Na+].[CH3:48][C:49]1[NH:53][N:52]=[C:51]([NH2:54])[CH:50]=1>C(Cl)Cl.C1COCC1>[F:1][C:2]([F:24])([C:17]1[CH:22]=[CH:21][C:20]([F:23])=[CH:19][N:18]=1)[C:3]1[N:12]=[C:11]([NH:54][C:51]2[CH:50]=[C:49]([CH3:48])[NH:53][N:52]=2)[C:10]2[C:5](=[C:6]([CH2:15][CH3:16])[CH:7]=[CH:8][CH:9]=2)[N:4]=1
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HCID 24477Sodium ThiosulfateHCID 70297m-Chloroperbenzoic acidHCID 931461H-Pyrazol-3-amine, 5-methyl-HCID 516892Sodium BicarbonateHCID 666095022-(Difluoro(5-fluoropyridin-2-yl)methyl)-8-ethyl-4-(methylthio)quinazoline

생성물 1

HCID 56848755
2-(difluoro(5-fluoropyridin-2-yl)methyl)-8-ethyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
수율 36.1%

시약·촉매·용매 2

HCID 6344Dichloromethane용매2회HCID 8028Tetrahydrofuran용매

실험 절차

To 2-(difluoro(5-fluoropyridin-2-yl)methyl)-8-ethyl-4-(methylthio)quinazoline (193 mg, 0.55 mmol) in DCM (5 mL) at 0° C. was added 3-chloroperbenzoic acid (70%, 218 mg, 0.89 mmol) and the mixture stirred for 40 min. The mixture was diluted with DCM and then aq sodium thiosulfate was added, followed by addition of saturated aq sodium bicarbonate solution. The organic layer was separated, dried over sodium sulfate, and concentrated under reduced pressure. To the residue were added THF (3 mL) and 5-methyl-1H-pyrazol-3-amine (163 mg, 1.67 mmol) and the mixture was stirred at rt for 4 days. The mixture was concentrated under reduced pressure and purified by preparative HPLC (Varian diphenyl reverse phase column, eluted with gradient of solvent B=0.05% AcOH/ACN and solvent A=5% ACN/0.05% AcOH/H2O) to afford 2-(difluoro(5-fluoropyridin-2-yl)methyl)-8-ethyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine (79 mg, 36%). 1H NMR (300 MHz, DMSO-d6) δ ppm 1.21 (t, J=7.44 Hz, 3H) 2.19 (s, 3H) 3.05 (q, J=7.35 Hz, 2H) 6.03 (s, 1H) 7.55 (t, J=7.82 Hz, 1H) 7.74 (d, J=6.97 Hz, 1H) 7.95-8.06 (m, 2H) 8.51 (d, J=8.10 Hz, 1H) 8.67 (s, 1H) 10.58 (br s, 1H) 12.16 (br s, 1H); LC-MS (ESI) m/z 399 (M+H)+.

후처리

  1. customThe organic layer was separated
  2. dry with materialdried over sodium sulfate
  3. concentrationconcentrated under reduced pressure
  4. stirringthe mixture was stirred at rt for 4 days
  5. concentrationThe mixture was concentrated under reduced pressure
  6. custompurified by preparative HPLC (Varian diphenyl reverse phase column
  7. washeluted with gradient of solvent B=0.05% AcOH/ACN and solvent A=5% ACN/0.05% AcOH/H2O)

출처 및 근거

ORD 기록
ord-e3f7cd0a1fbc4ae8bc72837c94dc82fd
출처 데이터셋
uspto-grants-2014_01
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08633207B2

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