3,4-Difluorophenyl isocyanate → 1-(3,4-Difluoro-phenyl)-3-[3-(4-fluoro-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-urea

HRID 407433

반응식

HRID 407433 반응식
[F:1][C:2]1[CH:6]=[N:5][N:4]([CH3:7])[C:3]=1[C:8]1[CH:9]=[C:10]([NH2:16])[CH:11]=[CH:12][C:13]=1[O:14][CH3:15].[F:17][C:18]1[CH:19]=[C:20]([N:25]=[C:26]=[O:27])[CH:21]=[CH:22][C:23]=1[F:24]>>[F:17][C:18]1[CH:19]=[C:20]([NH:25][C:26]([NH:16][C:10]2[CH:11]=[CH:12][C:13]([O:14][CH3:15])=[C:8]([C:3]3[N:4]([CH3:7])[N:5]=[CH:6][C:2]=3[F:1])[CH:9]=2)=[O:27])[CH:21]=[CH:22][C:23]=1[F:24]

참가 물질

3

반응물 2

HCID 27347083,4-Difluorophenyl isocyanateHCID 231394493-(4-fluoro-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenylamine

생성물 1

HCID 115888891-(3,4-Difluoro-phenyl)-3-[3-(4-fluoro-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-urea수율 63%

실험 절차

3-(4-Fluoro-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenylamine was treated with 3,4-difluorophenylisocyanate, in a similar manner as described in Example 1.69, providing 27 mg (63% yield) of Compound 32: LCMS m/z (%)=377 (M+H, 100). 1H NMR (400 MHz, acetone-d6) δ: 8.28 (s, 1H), 8.12 (s, 1H), 7.74 (ddd, J1=13.5 Hz, J2=7.3 Hz, J3=2.5 Hz, 1H), 7.63 (ddd, J1=8.8 Hz, J2=2.8 Hz, 1H), 7.47 (d, J=2.8 Hz, 1H), 7.38 (d, JH,F=4.4 Hz, 1H), 7.16 (m, 3H), 3.84 (s, 3H), 3.65 (s, 3H). 19F NMR (376 MHz, acetone-d6) δ: −138.89 (m, 1F), −148.38 (m, 1F), −177.40 (d, JH,F=5.3 Hz, 1F).

출처 및 근거

ORD 기록
ord-034b0eea1870481792b4bc736f71e312
출처 데이터셋
uspto-grants-2014_06
특허 번호
US08754238B2

연결된 노트

불러오는 중…