Cyclohexylpropionyl chloride → HCID 52935921, 화합물
반응식
[CH:1]1([CH2:7][CH2:8][C:9](Cl)=[O:10])[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.[CH3:12][CH:13]([CH3:36])[CH:14]([NH:19][C:20]([C:22]1[S:23][C:24]([C:27]2[CH:32]=[CH:31][C:30]([N+:33]([O-])=O)=[CH:29][CH:28]=2)=[CH:25][N:26]=1)=[O:21])[C:15]([O:17][CH3:18])=[O:16]>>[CH:1]1([CH2:7][CH2:8][C:9]([NH:33][C:30]2[CH:31]=[CH:32][C:27]([C:24]3[S:23][C:22]([C:20]([NH:19][CH:14]([CH:13]([CH3:36])[CH3:12])[C:15]([O:17][CH3:18])=[O:16])=[O:21])=[N:26][CH:25]=3)=[CH:28][CH:29]=2)=[O:10])[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1참가 물질
3
실험 절차
The title compound was synthesized analogous to Example 27, using 3-cyclohexylpropanoyl chloride and intermediate 2. Yield: 49%; 1H NMR (DMSO-d6, 300 MHz): δ 10.09 (s, 1H), 8.74 (d, 1H), 8.35 (s, 1H), 7.71 (s, 4H), 4.32 (t, 1H), 3.69 (s, 3H), 2.36 (t, 2H), 2.30 (m, 1H), 1.73 (m, 5H), 1.51 (q, 2H), 1.17 (m, 4H), 0.96 (t, 6H), 0.92 (m, 2H); MS (ESI) m/z 472.0 [M+H]+.
출처 및 근거
- ORD 기록
- ord-161464843cb24b78a05495471b638d63
- 출처 데이터셋
- uspto-grants-2014_05