Brofoxine → 6-(3,5Dichloro-phenyl)4,4-dimethyl-1,4-dihydrobenzo[d][1,3]-oxazin-2-one

HRID 50712

반응식

HRID 50712 반응식
Br[C:2]1[CH:14]=[CH:13][C:5]2[NH:6][C:7](=[O:12])[O:8][C:9]([CH3:11])([CH3:10])[C:4]=2[CH:3]=1.[Cl:15][C:16]1[CH:17]=[C:18](B(O)O)[CH:19]=[C:20]([Cl:22])[CH:21]=1>>[Cl:15][C:16]1[CH:17]=[C:18]([C:2]2[CH:14]=[CH:13][C:5]3[NH:6][C:7](=[O:12])[O:8][C:9]([CH3:11])([CH3:10])[C:4]=3[CH:3]=2)[CH:19]=[C:20]([Cl:22])[CH:21]=1

참가 물질

3

반응물 2

HCID 30630BrofoxineHCID 27343313,5-Dichlorophenylboronic acid

생성물 1

HCID 99271486-(3,5Dichloro-phenyl)4,4-dimethyl-1,4-dihydrobenzo[d][1,3]-oxazin-2-one

실험 절차

Prepared from 6-bromo-4,4-dimethyl-1,4-dihydro-benzo[d][1,3]oxazin-2-one and 3,5-dichlorophenyl boronic acid according to Procedure A. A white solid: mp 245-246° C.; 1H-NMR (DMSO-d6) δ 10.4 (s, 1H), 7.77 (m, 2H), 7.67-7.64 (m, 2H), 7.56 (bs, 1H), 6.96 (d, 1H, J=7.98 Hz), 1.7 (s, 6H); MS (EI) m/z 321 ([M+H]+, 40%); Anal. Calc. For C16H13Cl2NO2: C, 59.32; H, 4.11; N, 4.32. Found: C, 59.13; H, 4.29, N, 4.17.

출처 및 근거

ORD 기록
ord-33e1dbf12d2f4bc0af16b418cf03793f
출처 데이터셋
uspto-grants-2004_03
특허 번호
US06713478B2

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