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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
ノート
印刷プレビュー

反応式

HRID 1824448 の反応式
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]
参加物反応条件実験手順後処理出典と根拠反応ノート

参加物

9

反応物 6

HCID 1140Toluene2 回HCID 6371PhosgeneHCID 105034IsocyanateHCID 516892Sodium BicarbonateHCID 119912003-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-amine hydrochlorideHCID 69146403Tetrahydrofuranylmethylaminopyrimidine ether

生成物 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

試薬・触媒・溶媒 2

HCID 6344Dichloromethane溶媒HCID 8028Tetrahydrofuran溶媒

反応条件

温度
0 °C

実験手順

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.

後処理

  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

出典と根拠

ORDレコード
ord-06872717da73436684270f24032abc85
出典データセット
uspto-grants-2006_05
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07041669B2

反応ノート

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