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Acetic Acid → HCID 68725159, 화합물

HRID 1042276
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HRID 1042276 반응식
[CH3:1][O:2][C:3]1[CH:25]=[CH:24][C:6]([CH2:7][N:8]2[CH:16]=[N:15][C:14]3[C:9]2=[N:10][CH:11]=[N:12][C:13]=3[C:17]2[C:18](F)=[N:19][CH:20]=[CH:21][CH:22]=2)=[CH:5][CH:4]=1.[NH2:26][C:27]1[C:28]([CH3:46])=[CH:29][CH:30]=[C:31]2[C:36]=1[N:35]=[CH:34][N:33]=[C:32]2[NH:37][C:38]1[CH:45]=[CH:44][C:41]([C:42]#[N:43])=[CH:40][CH:39]=1.C[Si]([N-][Si](C)(C)C)(C)C.[Li+].CC(O)=O>C1COCC1.CO>[CH3:1][O:2][C:3]1[CH:25]=[CH:24][C:6]([CH2:7][N:8]2[CH:16]=[N:15][C:14]3[C:9]2=[N:10][CH:11]=[N:12][C:13]=3[C:17]2[C:18]([NH:26][C:27]3[C:28]([CH3:46])=[CH:29][CH:30]=[C:31]4[C:36]=3[N:35]=[CH:34][N:33]=[C:32]4[NH:37][C:38]3[CH:45]=[CH:44][C:41]([C:42]#[N:43])=[CH:40][CH:39]=3)=[N:19][CH:20]=[CH:21][CH:22]=2)=[CH:5][CH:4]=1
참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트

참가 물질

7

반응물 4

HCID 176Acetic AcidHCID 2733832Lithium HexamethyldisilazideHCID 59627379HCID 59627379, 화합물HCID 687253434-(8-Amino-7-methylquinazolin-4-ylamino)benzonitrile

생성물 1

HCID 68725159HCID 68725159, 화합물

시약·촉매·용매 2

HCID 887Methanol
용매
HCID 8028Tetrahydrofuran용매

반응 조건

온도
140 °C

실험 절차

A mixture of 9-(4-methoxybenzyl)-6-(2-fluoropyridin-3-yl)-9H-purine (146 mg, 436 μmol) and 4-(8-amino-7-methylquinazolin-4-ylamino)benzonitrile (120 mg, 436 μmol) in THF (4 mL) was sonicated until all solids became a fine powder. Lithium bis(trimethylsilyl)amide (1.0 M solution in THF; 1.53 mL, 1.53 mmol) was added dropwise with stirring (all solids dissolved and then some solid appeared again). The mixture was stirred at rt for 10 min and then heated in a microwave at 140° C. for 30 min. The mixture was poured into AcOH (0.5 mL) in MeOH (20 mL) and the mixture was stirred for 10 min. Solvent was removed and the product was purified by flash chromatography eluting with MeOH/DCM (2-5%) to give 4-(8-(3-(9-(4-methoxybenzyl)-9H-purin-6-yl)pyridin-2-ylamino)-7-methylquinazolin-4-ylamino)benzonitrile. MS (ESI, pos. ion) m/z: 591.2 [M+H]+

후처리

  1. customwas sonicated until all solids
  2. dissolutiondissolved
  3. stirringThe mixture was stirred at rt for 10 min
  4. stirringthe mixture was stirred for 10 min
  5. customSolvent was removed
  6. customthe product was purified by flash chromatography
  7. washeluting with MeOH/DCM (2-5%)

출처 및 근거

ORD 기록
ord-d6186c49083d4cb69ddb6d342b6a411f
출처 데이터셋
uspto-grants-2013_10
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08557830B2

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