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Potassium Carbonate → N-(3-(6-((3-Hydroxy-4-Morpholinophenyl)Amino)-1-(Tetrahydro-2H-Pyran-2-Yl)-1H-Pyrazolo[3,4-D]Pyrimidin-4-Yl)Phenyl)Acrylamide

HRID 929689
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HRID 929689 반응식
Cl[C:2]1[N:7]=[C:6]2[N:8]([CH:11]3[CH2:16][CH2:15][CH2:14][CH2:13][O:12]3)[N:9]=[CH:10][C:5]2=[C:4]([C:17]2[CH:18]=[C:19]([NH:23][C:24](=[O:27])[CH:25]=[CH2:26])[CH:20]=[CH:21][CH:22]=2)[N:3]=1.[NH2:28][C:29]1[CH:30]=[CH:31][C:32]([N:36]2[CH2:41][CH2:40][O:39][CH2:38][CH2:37]2)=[C:33]([OH:35])[CH:34]=1.C(=O)([O-])[O-].[K+].[K+].C1(P(C2C=CC=CC=2)C2C3OC4C(=CC=CC=4P(C4C=CC=CC=4)C4C=CC=CC=4)C(C)(C)C=3C=CC=2)C=CC=CC=1>CC(O)(C)C.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.[Pd].[Pd]>[OH:35][C:33]1[CH:34]=[C:29]([NH:28][C:2]2[N:7]=[C:6]3[N:8]([CH:11]4[CH2:16][CH2:15][CH2:14][CH2:13][O:12]4)[N:9]=[CH:10][C:5]3=[C:4]([C:17]3[CH:18]=[C:19]([NH:23][C:24](=[O:27])[CH:25]=[CH2:26])[CH:20]=[CH:21][CH:22]=3)[N:3]=2)[CH:30]=[CH:31][C:32]=1[N:36]1[CH2:37][CH2:38][O:39][CH2:40][CH2:41]1
참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트

참가 물질

7

반응물 4

HCID 11430Potassium CarbonateHCID 6360441,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)HCID 539059685-Amino-2-morpholinophenolHCID 86677518N-(3-(6-chloro-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)phenyl)acrylamide

생성물 1

HCID 118591001
N-(3-(6-((3-Hydroxy-4-Morpholinophenyl)Amino)-1-(Tetrahydro-2H-Pyran-2-Yl)-1H-Pyrazolo[3,4-D]Pyrimidin-4-Yl)Phenyl)Acrylamide
수율 28.5%

시약·촉매·용매 2

HCID 9811564Bis(dibenzylideneacetone)palladium촉매HCID 6386tert-Butanol용매

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온도
100 °C

실험 절차

N-(3-(6-chloro-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)phenyl)acrylamide (50 mg, 0.130 mmol), 5-amino-2-morpholinophenol (25.3 mg, 0.130 mmol) and potassium carbonate (45.0 mg, 0.326 mmol) were dissolved in t-BuOH (80 mL). 4,5-Bis(diphenylphosphino)-9,9-dimethylxanthene (3.01 mg, 5.21 μmol) and Pd2dba3 (2.386 mg, 2.61 μmol) were then added to the solution. The reaction mixture was refluxed at 100° C. for 12 h, and the reaction was monitored by TLC. Following completion of the reaction, the reaction mixture was allowed to cool, and the solvent was removed in vacuo. The resulting crude material was purified by flash chromatography (2% methanol/DCM) to yield the title compound (20 mg, 0.037 mmol, 28.3% yield) as yellow solid. Crude material was used without further purification and used directly in the next reaction.

후처리

  1. customcompletion of the reaction
  2. temperatureto cool
  3. customthe solvent was removed in vacuo
  4. customThe resulting crude material was purified by flash chromatography (2% methanol/DCM)

출처 및 근거

ORD 기록
ord-5c9115cd0345448f86c1c1a82b351344
출처 데이터셋
uspto-grants-2016_03
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09296703B2

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