(2S)-2-Amino-3,3-dimethyl-1-butanol → (S)-3-(3,4-difluorophenyl)-N-(1-hydroxy-3,3-dimethylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-1-carboxamide

HRID 242463

반응식

[F:1][C:2]1[CH:3]=[C:4]([C:9]2[C:10]3[CH2:29]O[CH2:27][CH2:26][C:11]=3[N:12]([C:14]([NH:16][C@@H:17]([C:22]([CH3:25])([CH3:24])[CH3:23])[C:18](NC)=[O:19])=[O:15])[N:13]=2)[CH:5]=[CH:6][C:7]=1[F:8].N[C@H:31](CO)C(C)(C)C>>[F:1][C:2]1[CH:3]=[C:4]([C:9]2[C:10]3[CH2:29][CH2:31][CH2:27][CH2:26][C:11]=3[N:12]([C:14]([NH:16][C@@H:17]([C:22]([CH3:24])([CH3:23])[CH3:25])[CH2:18][OH:19])=[O:15])[N:13]=2)[CH:5]=[CH:6][C:7]=1[F:8]

참가 물질

반응물 2

HCID 2734079(2S)-2-Amino-3,3-dimethyl-1-butanol

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)-carboxamide

생성물 1

HCID 46862571(S)-3-(3,4-difluorophenyl)-N-(1-hydroxy-3,3-dimethylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-1-carboxamide

실험 절차

Compound 51 was prepared according to the procedure described for the synthesis of compound 28 by replacing intermediate 16 with intermediate 18, and replacing tert-leucine methylamide with tert-leucinol. 1H NMR (CDCl3) δ 7.54-7.60 (m, 1H), 7.41-7.47 (m, 2H), 7.17-7.23 (m, 1H), 6.95 (dd, J=7.3, 3.4 Hz, 1H), 3.80-3.86 (m, 1H), 3.65-3.70 (m, 1H), 3.04 (m, 2H), 2.64 (m, 2H), 1.74-1.84 (m, 4H), 1.04 (s, 9H). LCMS (+ESI) m/z=378.3 [M+H]+.

출처 및 근거

ORD 기록: ord-17210bce264a4f4db2295d3492b12414
출처 데이터셋: uspto-grants-2014_02
DOI: 10.6084/m9.figshare.5104873.v1
특허 번호: US08653127B2

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