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Toluene → 1-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-(4-{2-[(tetrahydrofuran-2-ylmethyl)-amino]-pyrimidin-4-yloxy}-naphthalen-1-yl)-urea

HRID 1824448
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HRID 1824448 반응식
Cl.[NH2:2][C:3]1[N:4]([C:12]2[CH:17]=[CH:16][C:15]([CH3:18])=[CH:14][CH:13]=2)[N:5]=[C:6]([C:8]([CH3:11])([CH3:10])[CH3:9])[CH:7]=1.[C:19]([O-:22])(O)=O.[Na+].C(Cl)(Cl)=O.[N-:28]=[C:29]=[O:30].[O:31]1[CH2:35][CH2:34][CH2:33][CH:32]1[CH2:36][NH:37][C:38]1[N:43]=[CH:42][CH:41]=[CH:40][N:39]=1.[CH3:44][CH2:45]OCC.[C:49]1([CH3:55])[CH:54]=[CH:53][CH:52]=[CH:51][CH:50]=1>C(Cl)Cl.C1COCC1>[C:8]([C:6]1[CH:7]=[C:3]([NH:2][C:29]([NH:28][C:55]2[C:49]3[C:54](=[CH:53][CH:52]=[CH:51][CH:50]=3)[C:19]([O:22][C:42]3[CH:41]=[CH:40][N:39]=[C:38]([NH:37][CH2:36][CH:32]4[CH2:33][CH2:34][CH2:35][O:31]4)[N:43]=3)=[CH:45][CH:44]=2)=[O:30])[N:4]([C:12]2[CH:13]=[CH:14][C:15]([CH3:18])=[CH:16][CH:17]=2)[N:5]=1)([CH3:11])([CH3:10])[CH3:9]
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참가 물질

9

반응물 6

HCID 1140Toluene2회HCID 6371PhosgeneHCID 105034IsocyanateHCID 516892Sodium BicarbonateHCID 119912003-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-amine hydrochlorideHCID 69146403Tetrahydrofuranylmethylaminopyrimidine ether

생성물 1

HCID 10218665
1-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-(4-{2-[(tetrahydrofuran-2-ylmethyl)-amino]-pyrimidin-4-yloxy}-naphthalen-1-yl)-urea

시약·촉매·용매 2

HCID 6344Dichloromethane용매HCID 8028Tetrahydrofuran용매

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온도
0 °C

실험 절차

3-Amino-5-tert-butyl-2-(p-tolyl)-2H-pyrazole hydrochloride (59 mg, 0.22 mmol, 1 equiv.) was dissolved in 12 mL methylene chloride and 12 mL saturated aqueous NaHCO3 was added. The biphasic mixture was stirred until all solids had completely dissolved and cooled to 0° C. The organic layer was then treated with phosgene in one portion via syringe while not stirring (0.40 mL of a 20% solution toluene, 0.78 mmol, 3.5 equiv.). The resulting mixture was stirred vigorously at 0° C. for 0.5 h. The organic layer was separated, dried (Na2SO4) and filtered. The methylene chloride was removed in vacuo and the resulting isocyanate in toluene was treated with a solution of the above tetrahydrofuranylmethylaminopyrimidine ether intermediate (75 mg, 0.22 mmol, 1.0 equiv.) in 4 mL anhydrous THF. The mixture was stirred at room temperature for 36 h, then the solvent was removed in vacuo. The product urea was purified by column chromatography on silica gel using 0–10% MeOH in methylene chloride eluent mixtures, affording 112 mg of the title compound [(S)-enantiomer] as a light pink foam. Further purification by preparatory reverse-phase HPLC afforded 44 mg of the title compound as a pure, yellow foam.

후처리

  1. dissolutionhad completely dissolved
  2. stirringThe resulting mixture was stirred vigorously at 0° C. for 0.5 h
  3. customThe organic layer was separated
  4. dry with materialdried (Na2SO4)
  5. filtrationfiltered
  6. customThe methylene chloride was removed in vacuo
  7. stirringThe mixture was stirred at room temperature for 36 h
  8. customthe solvent was removed in vacuo
  9. customThe product urea was purified by column chromatography on silica gel using 0–10% MeOH in methylene chloride eluent mixtures

출처 및 근거

ORD 기록
ord-06872717da73436684270f24032abc85
출처 데이터셋
uspto-grants-2006_05
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07041669B2

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