2,4,5-Trifluorobenzoyl chloride → (S)-3-(3,4-difluorophenyl)-N-(3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl)-4-methyl-5,6,7,8-tetrahydropyrazolo[4,3-b]azepine-1(4H)-carboxamide

HRID 242474

반응식

HRID 242474 반응식
[CH3:1][C:2]([CH3:31])([CH3:30])[C@H:3]([NH:8][C:9]([N:11]1[C:19]2[CH2:18][CH2:17]N(C)C[C:14]=2[C:13]([C:21]2[CH:26]=[C:25]([F:27])[C:24]([F:28])=[CH:23][C:22]=2F)=[N:12]1)=[O:10])[C:4]([NH:6][CH3:7])=[O:5].[C:32]([N:39]1CCC(=O)[CH2:41][CH2:40]1)(OC(C)(C)C)=O.O=C1CCCCN(C(OC(C)(C)C)=O)C1.FC1C=C(F)C(F)=CC=1C(Cl)=O.FC1C=C(C=CC=1F)C(Cl)=O>>[F:27][C:25]1[CH:26]=[C:21]([C:13]2[C:14]3[N:39]([CH3:32])[CH2:40][CH2:41][CH2:17][CH2:18][C:19]=3[N:11]([C:9]([NH:8][C@@H:3]([C:2]([CH3:1])([CH3:30])[CH3:31])[C:4]([NH:6][CH3:7])=[O:5])=[O:10])[N:12]=2)[CH:22]=[CH:23][C:24]=1[F:28]

참가 물질

6

반응물 5

HCID 1451642,4,5-Trifluorobenzoyl chlorideHCID 735900tert-Butyl 4-oxopiperidine-1-carboxylateHCID 27245193,4-Difluorobenzoyl chlorideHCID 22831870tert-Butyl 3-oxoazepane-1-carboxylateHCID 46863441(S)-N-(3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl)-5-methyl-3-(2,4,5-trifluorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-1-carboxamide

생성물 1

HCID 59345359(S)-3-(3,4-difluorophenyl)-N-(3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl)-4-methyl-5,6,7,8-tetrahydropyrazolo[4,3-b]azepine-1(4H)-carboxamide

실험 절차

Compound 69 was prepared according to the procedure described above for the synthesis of compound 37 except that 1-Boc-4-piperidone was replaced with tert-butyl 3-oxoazepane-1-carboxylate and 2,4,5-trifluorobenzoyl-chloride was replaced with 3,4-difluorobenzoylchloride. LCMS (+ESI) m/z=434.2 [M+H]+.

출처 및 근거

ORD 기록
ord-40bdf287a2a14cebb12d18199dcae4fe
출처 데이터셋
uspto-grants-2014_02
특허 번호
US08653127B2

연결된 노트

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