(S)-3-(3,4-difluorophenyl)-N-(3,3-dimethyl-1-(methyl-amino)-1-oxobutan-2-yl)-6,7-dihydropyrano[4,3-c]pyrazole-1(4H)-carboxamide → (S)-N-(1-(2-hydroxyethylamino)-3,3-dimethyl-1-oxobutan-2-yl)-3-(2,4,5-trifluorophenyl)-4,5-dihydropyrano[3,4-c]pyrazole-1(7H)-carboxamide

HRID 242497

反応式

HRID 242497 の反応式
FC1C=C(C2C3COCCC=3N([C:14]([NH:16][C@@H:17]([C:22]([CH3:25])([CH3:24])[CH3:23])[C:18]([NH:20][CH3:21])=[O:19])=[O:15])N=2)C=CC=1F.[F:30][C:31]1[CH:36]=[C:35]([F:37])[C:34]([F:38])=[CH:33][C:32]=1[C:39]1[C:40]2[CH2:47][CH2:46][O:45][CH2:44][C:41]=2[NH:42][N:43]=1.N[C@@H](C(C)(C)C)[C:50](NCCO)=[O:51]>>[OH:51][CH2:50][CH2:21][NH:20][C:18](=[O:19])[C@@H:17]([NH:16][C:14]([N:42]1[C:41]2[CH2:44][O:45][CH2:46][CH2:47][C:40]=2[C:39]([C:32]2[CH:33]=[C:34]([F:38])[C:35]([F:37])=[CH:36][C:31]=2[F:30])=[N:43]1)=[O:15])[C:22]([CH3:23])([CH3:24])[CH3:25]

参加物

4

反応物 3

HCID 46834697(S)-3-(3,4-difluorophenyl)-N-(3,3-dimethyl-1-(methyl-amino)-1-oxobutan-2-yl)-6,7-dihydropyrano[4,3-c]pyrazole-1(4H)-carboxamideHCID 58124726(S)-2-amino-N-(2-hydroxyethyl)-3,3-dimethylbutanamideHCID 593453423-(2,4,5-Trifluorophenyl)-1,4,5,7-tetrahydropyrano[3,4-c]pyrazole

生成物 1

HCID 46830946(S)-N-(1-(2-hydroxyethylamino)-3,3-dimethyl-1-oxobutan-2-yl)-3-(2,4,5-trifluorophenyl)-4,5-dihydropyrano[3,4-c]pyrazole-1(7H)-carboxamide

実験手順

Compound 97 was prepared according to the procedure for the synthesis of compound 28 by replacing intermediate 16 with intermediate 16D, and replacing tert-leucine methylamide with intermediate 23. LCMS (+ESI) m/z=453.3 [M+H]+. 1H NMR (CDCl3) δ 7.81 (d, J=9.1 Hz, 1H), 7.51-7.54 (m, 1H), 7.02-7.05 (m, 1H), 6.37 (br, 1H), 5.03 (d, J=8.9 Hz, 2H), 4.14 (d, J=9.2 Hz, 1H), 3.83-3.90 (m, 2H), 3.74 (br, 2H), 3.45 (br, 2H), 3.35 (br, 1H), 2.64 (br, 1H), 1.06 (s, 9H). Purity: 97%.

出典と根拠

ORDレコード
ord-4ab939d58a6d4900bc12a92db71fc270
出典データセット
uspto-grants-2014_02
特許番号
US08653127B2

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