Brofoxine → 6-(3-Methoxyphenyl)-4,4-dimethyl-1H-benzo[D][1,3]oxazin-2(4H)-one

HRID 50664

반응식

HRID 50664 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.[CH3:15][O:16][C:17]1[CH:18]=[C:19](B(O)O)[CH:20]=[CH:21][CH:22]=1>>[CH3:15][O:16][C:17]1[CH:22]=[C:21]([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:20]=[CH:19][CH:18]=1

참가 물질

3

반응물 2

HCID 30630BrofoxineHCID 2734370(3-Methoxyphenyl)boronic acid

생성물 1

HCID 98143516-(3-Methoxyphenyl)-4,4-dimethyl-1H-benzo[D][1,3]oxazin-2(4H)-one

실험 절차

Prepared according to Procedure A from 6-bromo-4,4-dimethyl-1,4-dihydro-benzo[d][1,3]oxazin-2-one and 3-methoxyphenyl boronic acid. Yellow solid: mp 164-165° C.; 1H-NMR (DMSO-d6) δ 10.3 (s, 1H), 7.56 (m, 2H), 7.36 (t, 1H, J=7.89 Hz), 7.20 (m, 2H), 6.96 (d, 1H, J=8.88 Hz), 6.91 (dd, 1H, J=8.13, 2.35 Hz), 3.8 (s, 3H), 1.7 (s, 6H), MS (ESI) m/z 284 ([M+H]+, 30%), Anal. Calc. For C17H17NO3: C, 72.07; H, 6.05; N, 4.94. Found: C, 70.58; H, 5.73; N, 4.67.

후처리

  1. customPrepared

출처 및 근거

ORD 기록
ord-3414d1fe75134326b6bf05caceb1d2b4
출처 데이터셋
uspto-grants-2004_03
특허 번호
US06713478B2

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