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Phosgene → HCID 10218444, 화합물

HRID 1824447
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HRID 1824447 반응식
[NH2:1][C:2]1[N:3]([C:11]2[CH:16]=[CH:15][C:14]([CH3:17])=[CH:13][CH:12]=2)[N:4]=[C:5]([C:7]([CH3:10])([CH3:9])[CH3:8])[CH:6]=1.C([O-])(O)=O.[Na+].C(Cl)(Cl)=O.[N-]=C=O.C(C1C=C(N[C:41]([NH:43][C:44]2[C:53]3[C:48](=[CH:49][CH:50]=[CH:51][CH:52]=3)[C:47]([O:54][C:55]3[CH:60]=[CH:59][N:58]=[C:57]([NH:61][CH2:62][CH:63]4[CH2:65][CH2:64]4)[N:56]=3)=[CH:46][CH:45]=2)=[O:42])N(C)N=1)(C)(C)C>C(Cl)Cl.C1(C)C=CC=CC=1.C1COCC1>[C:7]([C:5]1[CH:6]=[C:2]([NH:1][C:41]([NH:43][C:44]2[C:53]3[C:48](=[CH:49][CH:50]=[CH:51][CH:52]=3)[C:47]([O:54][C:55]3[CH:60]=[CH:59][N:58]=[C:57]([NH:61][CH2:62][CH:63]4[CH2:65][CH2:64]4)[N:56]=3)=[CH:46][CH:45]=2)=[O:42])[N:3]([C:11]2[CH:12]=[CH:13][C:14]([CH3:17])=[CH:15][CH:16]=2)[N:4]=1)([CH3:10])([CH3:9])[CH3:8]
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참가 물질

9

반응물 5

HCID 6371PhosgeneHCID 105034IsocyanateHCID 516892Sodium BicarbonateHCID 29741323-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-amineHCID 22147192HCID 22147192, 화합물

생성물 1

HCID 10218444HCID 10218444, 화합물수율 40%

시약·촉매·용매 3

HCID 1140Toluene용매2회HCID 6344Dichloromethane용매HCID 8028Tetrahydrofuran용매

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온도
0 °C

실험 절차

3-Amino-5-tert-butyl-2-(p-tolyl)-2H-pyrazole (2.39 g, 9.00 mmol, 1 equiv.) was dissolved in 35 mL methylene chloride and 35 mL saturated aqueous NaHCO3 was added. The biphasic mixture was stirred until all solids had completely dissolved and was then cooled to 0° C. The organic layer was then treated with phosgene in one portion via syringe while not stirring (15.8 mL of a 20% solution toluene, 31.5 mmol, 3.5 equiv.). The resulting mixture was stirred vigorously at 0° C. for 1 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 aminonaphthyl-chloropyrimidyl ether intermediate (see Example 4) (2.45 g, 9.0 mmol, 1.0 equiv.) in 40 mL anhydrous THF. The mixture was stirred at room temperature for 3.5 h, then the solvent was removed in vacuo. The residue was purified by column chromatography on silica gel using 0–10% MeOH in methylene chloride eluent mixtures, followed by recrystallization from ether, providing 1.90 g (40%) of the urea intermediate.

후처리

  1. dissolutionhad completely dissolved
  2. stirringThe resulting mixture was stirred vigorously at 0° C. for 1 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 3.5 h
  8. customthe solvent was removed in vacuo
  9. customThe residue was purified by column chromatography on silica gel using 0–10% MeOH in methylene chloride eluent mixtures
  10. customfollowed by recrystallization from ether

출처 및 근거

ORD 기록
ord-8af70fdf728d4e61b923bd1cea7bdff6
출처 데이터셋
uspto-grants-2006_05
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07041669B2

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