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Citric Acid → (2S)-N-(5-Chloro-2-pyridinyl)-3-ethoxy-2-[[1-(3-methyl-4-pyridinyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]oxy]propanamide

HRID 1097998
ノート
印刷プレビュー

反応式

HRID 1097998 の反応式
[H-].[Na+].[Cl:3][C:4]1[CH:5]=[CH:6][C:7]([NH:10][C:11](=[O:18])[C@@H:12]([OH:17])[CH2:13][O:14][CH2:15][CH3:16])=[N:8][CH:9]=1.Cl[C:20]1[N:25]=[CH:24][N:23]=[C:22]2[N:26]([C:29]3[CH:34]=[CH:33][N:32]=[CH:31][C:30]=3[CH3:35])[N:27]=[CH:28][C:21]=12.C(O)(=O)CC(CC(O)=O)(C(O)=O)O>C1COCC1>[Cl:3][C:4]1[CH:5]=[CH:6][C:7]([NH:10][C:11](=[O:18])[C@@H:12]([O:17][C:20]2[C:21]3[CH:28]=[N:27][N:26]([C:29]4[CH:34]=[CH:33][N:32]=[CH:31][C:30]=4[CH3:35])[C:22]=3[N:23]=[CH:24][N:25]=2)[CH2:13][O:14][CH2:15][CH3:16])=[N:8][CH:9]=1
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 311Citric AcidHCID 24758Sodium hydrideHCID 57438646HCID 57438646、化合物HCID 57504490HCID 57504490、化合物

生成物 1

HCID 57504364(2S)-N-(5-Chloro-2-pyridinyl)-3-ethoxy-2-[[1-(3-methyl-4-pyridinyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]oxy]propanamide収率 100.6%

試薬・触媒・溶媒 1

HCID 8028
Tetrahydrofuran
溶媒

反応条件

温度
0 °C

実験手順

60% Sodium hydride in mineral oil (48.8 mg, 1.22 mmol) was added in one portion to (S)—N-(5-chloropyridin-2-yl)-3-ethoxy-2-hydroxypropanamide (Intermediate H3) (199 mg, 0.81 mmol) in anhydrous THF (5 mL) cooled to 0° C. under nitrogen. The resulting suspension was stirred at 0° C. for 10 minutes and then 4-chloro-1-(3-methylpyridin-4-yl)-1H-pyrazolo[3,4-d]pyrimidine (Intermediate M1) (200 mg, 0.81 mmol) added portionwise over 1 minute. The mixture was stirred at 0° C. for 15 mins, allowed to warm slowly to ambient temperature and stirred for 2 hours. 1M citric acid (2 mL) was added and the mixture extracted with ethyl acetate (2×20 mL). The organic extracts were washed with water (15 mL) and brine (15 mL), dried (MgSO4) and evaporated. The residue was purified by flash silica chromatography, elution gradient 0 to 10% MeOH in EtOAc to afford (2S)—N-(5-chloropyridin-2-yl)-3-ethoxy-2-[1-(3-methylpyridin-4-yl)pyrazolo[4,5-e]pyrimidin-4-yl]oxypropanamide (370 mg, 100%). 1H NMR (400 MHz, CDCl3) δ 1.23 (3H, t), 2.34 (3H, s), 3.61-3.69 (2H, m), 4.06-4.14 (2H, m), 6.05 (1H, t), 7.49 (1H, d), 7.68 (1H, dd), 8.22 (1H, dd), 8.23-8.25 (1H, m), 8.44 (1H, s), 8.61 (1H, s), 8.63 (1H, dd), 8.69 (1H, s), 8.76 (1H, s); m/z (ESI+) (M+H)+=454; HPLC tR=1.93 min.

後処理

  1. stirringThe mixture was stirred at 0° C. for 15 mins
  2. temperatureto warm slowly to ambient temperature
  3. stirringstirred for 2 hours
  4. extractionthe mixture extracted with ethyl acetate (2×20 mL)
  5. washThe organic extracts were washed with water (15 mL) and brine (15 mL)
  6. dry with materialdried (MgSO4)
  7. customevaporated
  8. customThe residue was purified by flash silica chromatography, elution gradient 0 to 10% MeOH in EtOAc

出典と根拠

ORDレコード
ord-71514b3fd44f4b42afb5265da0239c67
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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