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Potassium Carbonate → 6-bromo-4-(((3S,4S)-1-(5-cyanopyridin-2-yl)-4-methylpyrrolidin-3-yl)amino)pyrrolo[1,2-b]pyridazine-3-carboxamide

HRID 877762
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HRID 877762 반응식
I.[Br:2][C:3]1[CH:4]=[C:5]2[C:10]([NH:11][C@H:12]3[C@@H:16]([CH3:17])[CH2:15][NH:14][CH2:13]3)=[C:9]([C:18]([NH2:20])=[O:19])[CH:8]=[N:7][N:6]2[CH:21]=1.Br[C:23]1[CH:30]=[CH:29][C:26]([C:27]#[N:28])=[CH:25][N:24]=1.C(=O)([O-])[O-].[K+].[K+]>CN(C)C=O>[Br:2][C:3]1[CH:4]=[C:5]2[C:10]([NH:11][C@H:12]3[C@@H:16]([CH3:17])[CH2:15][N:14]([C:23]4[CH:30]=[CH:29][C:26]([C:27]#[N:28])=[CH:25][N:24]=4)[CH2:13]3)=[C:9]([C:18]([NH2:20])=[O:19])[CH:8]=[N:7][N:6]2[CH:21]=1
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참가 물질

5

반응물 3

HCID 11430Potassium CarbonateHCID 50057186-Bromopyridine-3-carbonitrileHCID 682912146-bromo-4-(((3S,4S)-4-methylpyrrolidin-3-yl)amino)pyrrolo[1,2-b]pyridazine-3-carboxamide hydroiodide

생성물 1

HCID 682913406-bromo-4-(((3S,4S)-1-(5-cyanopyridin-2-yl)-4-methylpyrrolidin-3-yl)amino)pyrrolo[1,2-b]pyridazine-3-carboxamide수율 97%

시약·촉매·용매 1

HCID 6228
Dimethylformamide
용매

실험 절차

A solution of 6-bromo-4-(((3S,4S)-4-methylpyrrolidin-3-yl)amino)pyrrolo[1,2-b]pyridazine-3-carboxamide hydroiodide (250 mg, 0.536 mmol), 6-bromonicotinonitrile (103 mg, 0.563 mmol) and potassium carbonate (222 mg, 1.609 mmol) in N,N-dimethylformamide (3 mL) was heated at 100° C. in a sealed tube for 90 min. The resulting mixture was cooled to room temperature, triturated with water and filtered. The filter cake was washed with water and dried under vacuum to give 6-bromo-4-(((3S,4S)-1-(5-cyanopyridin-2-yl)-4-methylpyrrolidin-3-yl)amino)pyrrolo[1,2-b]pyridazine-3-carboxamide (0.228 g, 97% yield). 1H NMR (400 MHz, 1:1 mixture of chloroform-d/methanol-d4) δ ppm 8.39-8.27 (m, 1H), 8.08 (s, 1H), 7.69-7.57 (m, 2H), 6.95-6.82 (m, 1H), 6.48 (d, J=9.0 Hz, 1H), 4.83 (br. s., 1H), 4.01-3.69 (m, 3H), 3.39 (t, J=9.6 Hz, 1H), 2.81 (br. s., 1H), 1.27 (d, J=6.8 Hz, 3H); MS (ES+) m/z: 440.2 (M+H); LC retention time: 3.885 min (analytical HPLC Method H).

후처리

  1. customtriturated with water
  2. filtrationfiltered
  3. washThe filter cake was washed with water
  4. customdried under vacuum

출처 및 근거

ORD 기록
ord-ff981488784240b49e5747bfce976432
출처 데이터셋
uspto-grants-2015_03
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08987268B2

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