3-Chloro-4-methylphenol → HCID 69418239, 화합물
반응식
Cl[C:2]1[C:7]([C:8]([NH:10][C@H:11]([C:13]2[CH:22]=[CH:21][C:16]([C:17]([O:19][CH3:20])=[O:18])=[CH:15][CH:14]=2)[CH3:12])=[O:9])=[CH:6][C:5]([Cl:23])=[CH:4][N:3]=1.[Cl:24][C:25]1[CH:26]=[C:27]([OH:32])[CH:28]=[CH:29][C:30]=1[CH3:31]>>[Cl:23][C:5]1[CH:6]=[C:7]([C:8]([NH:10][C@H:11]([C:13]2[CH:22]=[CH:21][C:16]([C:17]([O:19][CH3:20])=[O:18])=[CH:15][CH:14]=2)[CH3:12])=[O:9])[C:2]([O:32][C:27]2[CH:28]=[CH:29][C:30]([CH3:31])=[C:25]([Cl:24])[CH:26]=2)=[N:3][CH:4]=1참가 물질
3
실험 절차
The title compound was prepared according to the procedure described in step 2 of Example 45 from methyl 4-((1S)-1-{[(2,5-dichloropyridin-3-yl)carbonyl]amino}ethyl)benzoate (step 1 of Example 48) and 3-chloro-4-methylphenol: 1H-NMR (CDCl3) δ 8.54 (1H, d, J=2.6 Hz), 8.15 (1H, d, J=2.6 Hz), 8.07 (1H, d, J=7.3 Hz), 8.01 (2H, d, J=8.4 Hz), 7.43 (2H, d, J=8.4 Hz), 7.32 (1H, d, J=8.4 Hz), 7.20 (1H, d, J=2.5 Hz), 6.97 (1H, dd, J=8.4, 2.5 Hz), 5.37 (1H, dq, J=7.3, 7.1 Hz), 3.91 (3H, s), 2.41 (3H, s), 1.59 (3H, d, J=7.1 Hz); MS (ESI) m/z 459 (M+H)+, 457 (M−H)−.
출처 및 근거
- ORD 기록
- ord-133072afc1404b48b5b9f801dbd62d68
- 출처 데이터셋
- uspto-grants-2007_07