1,4-Diazepan-5-one → 1-[5-Bromo-4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepan-5-one

HRID 626954

반응식

HRID 626954 반응식
[Br:1][C:2]1[C:3]([C:9]([F:12])([F:11])[F:10])=[N:4][C:5](Cl)=[N:6][CH:7]=1.[NH:13]1[CH2:19][CH2:18][C:17](=[O:20])[NH:16][CH2:15][CH2:14]1>>[Br:1][C:2]1[C:3]([C:9]([F:12])([F:11])[F:10])=[N:4][C:5]([N:13]2[CH2:19][CH2:18][C:17](=[O:20])[NH:16][CH2:15][CH2:14]2)=[N:6][CH:7]=1

참가 물질

3

반응물 2

HCID 27372641,4-Diazepan-5-oneHCID 114254905-Bromo-2-chloro-4-(trifluoromethyl)pyrimidine

생성물 1

HCID 899239771-[5-Bromo-4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepan-5-one수율 82.3%

실험 절차

Synthesised from 5-bromo-2-chloro-4-(trifluoromethyl)pyrimidine (1.14 g, 4.35 mmol) and 1,4-diazepan-5-one (490 mg, 4.30 mmol) in accordance with General Method B, giving the title compound (1.20 g, 81%) as a white solid. δH (300 MHz, DMSO-d6) 8.79 (s, 1H), 7.71 (t, J 4.8 Hz, 1H), 3.90 (m, 4H), 3.21 (m, 2H), 2.54 (m, 2H). LC-MS (pH 3) MH+ m/z 339.0, RT 1.93 minutes. LC-MS (pH 10) MH+ m/z 339.0, RT 1.91 minutes.

출처 및 근거

ORD 기록
ord-ee2ff09166a94b6c9a24ce8b8662371f
출처 데이터셋
uspto-grants-2016_04
특허 번호
US09309243B2

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