2,4,5-Trifluorophenylisothiocyanate → HCID 178501040, 화합물
반응식
[NH:1]([C:3](=[O:23])[C:4]([NH:6][C:7]1[CH:12]=[CH:11][C:10]([C@H:13]2[CH2:18][CH2:17][C@H:16]([C:19]([O:21][CH3:22])=[O:20])[CH2:15][CH2:14]2)=[CH:9][CH:8]=1)=[O:5])[NH2:2].[F:24][C:25]1[CH:30]=[C:29]([F:31])[C:28]([F:32])=[CH:27][C:26]=1[N:33]=[C:34]=S>>[F:24][C:25]1[CH:30]=[C:29]([F:31])[C:28]([F:32])=[CH:27][C:26]=1[NH:33][C:34]1[O:23][C:3]([C:4]([NH:6][C:7]2[CH:8]=[CH:9][C:10]([C@H:13]3[CH2:14][CH2:15][C@H:16]([C:19]([O:21][CH3:22])=[O:20])[CH2:17][CH2:18]3)=[CH:11][CH:12]=2)=[O:5])=[N:1][N:2]=1참가 물질
3
실험 절차
Following the procedure of Example 105 except that methyl trans-4-(4-{[hydrazino(oxo) acetyl]amino}phenyl)cyclohexanecarboxylate (Intermediate 44) and 2,4,5-trifluorophenylisothiocyanate were used as starting materials the title compound was obtained as solid; 1H NMR δ 1.47 (1H, s), 1.49 (2H, d), 1.52 (1H, s), 1.85 (2H, d), 2.01 (2H, d), 2.45 (1H+DMSO, m), 2.53-2.56 (1H, m), 3.62 (3H, s), 7.22-7.24 (2H, m), 7.68 (1H, s), 7.71 (2H, q), 8.15-8.18 (1H, m), 10.96 (1H, s), 11.04 (1H, s) MS m/e MH+ 475.
출처 및 근거
- ORD 기록
- ord-30cb062a71e14eedba1a0a1dd9a60269
- 출처 데이터셋
- uspto-grants-2010_09