Methanol → HCID 68779395, 화합물

HRID 1042292

반응식

HRID 1042292 반응식
[F:1][C:2]1([F:12])[O:6][C:5]2[CH:7]=[CH:8][C:9]([NH2:11])=[CH:10][C:4]=2[O:3]1.[NH:13]1[C:17]2=[N:18][CH:19]=[N:20][C:21]([C:22]3[C:23]([NH:28][C:29]4[C:30]5[CH:31]=[CH:32][N:33]=[C:34](Cl)[C:35]=5[CH:36]=[CH:37][C:38]=4[CH3:39])=[N:24][CH:25]=[CH:26][CH:27]=3)=[C:16]2[CH:15]=[N:14]1.FC(F)(F)C(O)=O.CO>CC(O)C.CCN(CC)CC>[NH:13]1[C:17]2=[N:18][CH:19]=[N:20][C:21]([C:22]3[C:23]([NH:28][C:29]4[C:30]5[CH:31]=[CH:32][N:33]=[C:34]([NH:11][C:9]6[CH:8]=[CH:7][C:5]7[O:6][C:2]([F:1])([F:12])[O:3][C:4]=7[CH:10]=6)[C:35]=5[CH:36]=[CH:37][C:38]=4[CH3:39])=[N:24][CH:25]=[CH:26][CH:27]=3)=[C:16]2[CH:15]=[N:14]1

참가 물질

7

반응물 4

HCID 887MethanolHCID 6422Trifluoroacetic acidHCID 27368935-Amino-2,2-difluoro-1,3-benzodioxoleHCID 59627378N-(3-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)pyridin-2-yl)-1-chloro-6-methylisoquinolin-5-amine

생성물 1

HCID 68779395HCID 68779395, 화합물

시약·촉매·용매 2

HCID 3776Isopropanol용매HCID 8471Triethylamine용매

반응 조건

온도
150 °C

실험 절차

A mixture of 2,2-difluorobenzo[d][1,3]dioxol-5-amine (64 mg, 371 mop, N-(3-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)pyridin-2-yl)-1-chloro-6-methylisoquinolin-5-amine (120 mg, 309 μmol) and 2,2,2-trifluoroacetic acid (95 μl, 1238 μmol) in i-PrOH (4 ml) was heated in a microwave reactor at 150° C. for 40 min. The mixture was poured into MeOH (10 ml) and Et3N (0.25 ml) was added. Solvent was removed under vacuum and the product was purified by flash chromatography eluting with MeOH/DCM (1-5%) to give N5-(3-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)pyridin-2-yl)-N1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)-6-methylisoquinoline-1,5-diamine. MS Found: (ESI pos. ion) m/z 525 (M+H+).

후처리

  1. additionwas added
  2. customSolvent was removed under vacuum
  3. customthe product was purified by flash chromatography
  4. washeluting with MeOH/DCM (1-5%)

출처 및 근거

ORD 기록
ord-f9900f46dbbd4efc822e74401859a9bf
출처 데이터셋
uspto-grants-2013_10
특허 번호
US08557830B2

연결된 노트

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