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Sodium hydride → (2S)-3-isopropoxy-N-(5-methylpyridin-2-yl)-2-(1-(2-(methylsulfonyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)propanamide

HRID 1097999
ノート
印刷プレビュー

反応式

HRID 1097999 の反応式
P(Cl)(Cl)(Cl)=O.[CH3:6][S:7]([C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][C:11]=1[N:16]1[C:20]2=[N:21][CH:22]=[N:23][C:24]([OH:25])=[C:19]2[CH:18]=[N:17]1)(=[O:9])=[O:8].[H-].[Na+].O[C@@H:29]([CH2:40][O:41][CH:42]([CH3:44])[CH3:43])[C:30]([NH:32][C:33]1[CH:38]=[CH:37][C:36]([CH3:39])=[CH:35][N:34]=1)=[O:31]>C1COCC1>[CH:42]([O:41][CH2:40][C@H:29]([O:25][C:24]1[N:23]=[CH:22][N:21]=[C:20]2[N:16]([C:11]3[CH:12]=[CH:13][CH:14]=[CH:15][C:10]=3[S:7]([CH3:6])(=[O:9])=[O:8])[N:17]=[CH:18][C:19]=12)[C:30]([NH:32][C:33]1[CH:38]=[CH:37][C:36]([CH3:39])=[CH:35][N:34]=1)=[O:31])([CH3:44])[CH3:43]
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

6

反応物 4

HCID 24758Sodium hydrideHCID 24813Phosphorus oxychlorideHCID 57504492HCID 57504492、化合物2 回HCID 178504711HCID 178504711、化合物

生成物 1

HCID 57504366(2S)-3-isopropoxy-N-(5-methylpyridin-2-yl)-2-(1-(2-(methylsulfonyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)propanamide収率 47.5%

試薬・触媒・溶媒 1

HCID 8028Tetrahydrofuran溶媒2 回

反応条件

温度
100 °C

実験手順

Phosphorus oxychloride (1.864 ml, 20.00 mmol) was added to 1-(2-(methylsulfonyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-ol (Intermediate N1) (0.290 g, 1 mmol), at ambient temperature. The resulting mixture was stirred at 100° C. for 4 hours. The solution was allowed to cool to ambient temperature. The reaction mixture was evaporated. The residue was dissolved in DCM (30 mL). MP-Carbonate was added and the mixture stirred for 30 minutes then evaporated. The residue was dissolved in THF (5 mL). Sodium hydride (55.9 mg, 1.40 mmol) was added to (S)-2-hydroxy-3-isopropoxy-N-(5-methylpyridin-2-yl)propanamide (Intermediate C7) (238 mg, 1.00 mmol) in anhydrous THF (10 mL) at 0° C. under nitrogen. The resulting solution was stirred at 0° C. for 15 minutes and then the THF solution prepared above was added. The reaction mixture was allowed to warm to ambient temperature and was stirred for 16 hours. The reaction mixture was concentrated, diluted with water (10 mL) and EtOAc (50 mL). The organic layer was separated and the aqueous layer re-extracted with EtOAc (25 mL). The combined organics were washed with saturated brine (25 mL), dried (MgSO4) and evaporated. The residue was purified by preparative HPLC (Waters XBridge Prep C18 OBD column, 5μ silica, 50 mm diameter, 150 mm length), using decreasingly polar mixtures of water (containing 0.1% formic acid) and MeCN as eluent to afford (2S)-3-isopropoxy-N-(5-methylpyridin-2-yl)-2-(1-(2-(methylsulfonyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)propanamide (242 mg, 47.5%, 81% ee). 1H NMR (400 MHz, DMSO-d6) δ 1.12 (6H, dd), 2.24 (3H, s), 3.38 (3H, s), 3.72-3.80 (1H, m), 3.96-4.05 (2H, m), 5.87-5.91 (1H, m), 7.58 (1H, dd), 7.77 (1H, dd), 7.86-7.92 (2H, m), 7.94-7.99 (1H, m), 8.16-8.21 (2H, m), 8.53 (1H, s), 8.60 (1H, s), 10.82 (1H, s); m/z (ESI+) (M+H)+=511; HPLC tR=2.07 min.

後処理

  1. temperatureto cool to ambient temperature
  2. customThe reaction mixture was evaporated
  3. dissolutionThe residue was dissolved in DCM (30 mL)
  4. additionMP-Carbonate was added
  5. stirringthe mixture stirred for 30 minutes
  6. customthen evaporated
  7. dissolutionThe residue was dissolved in THF (5 mL)
  8. stirringThe resulting solution was stirred at 0° C. for 15 minutes
  9. additionabove was added
  10. temperatureto warm to ambient temperature
  11. stirringwas stirred for 16 hours
  12. concentrationThe reaction mixture was concentrated
  13. additiondiluted with water (10 mL) and EtOAc (50 mL)
  14. customThe organic layer was separated
  15. extractionthe aqueous layer re-extracted with EtOAc (25 mL)
  16. washThe combined organics were washed with saturated brine (25 mL)
  17. dry with materialdried (MgSO4)
  18. customevaporated
  19. customThe residue was purified by preparative HPLC (Waters XBridge Prep C18 OBD column, 5μ silica, 50 mm diameter, 150 mm length)

出典と根拠

ORDレコード
ord-a55d23ab74ce4436bec32db0e2cbc3f0
出典データセット
uspto-grants-2012_03
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08143263B2

反応ノート

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