Azepane → HCID 91585485, compound

HRID 1264978Notes

Reaction equation

HRID 1264978 reaction equation
[CH2:1]([C:5]1[N:6]=[C:7]([O:15][C:16]2[CH:21]=[CH:20][C:19]([CH2:22][C@H:23]([NH:29][C:30]3[C:33](=O)[C:32](=[O:35])[C:31]=3[O:36]CC)[C:24]([O:26][CH2:27][CH3:28])=[O:25])=[CH:18][CH:17]=2)[C:8]2[C:13]([CH:14]=1)=[CH:12][CH:11]=[N:10][CH:9]=2)[CH:2]([CH3:4])[CH3:3].[NH:39]1[CH2:45][CH2:44][CH2:43][CH2:42][CH2:41][CH2:40]1>>[CH2:1]([C:5]1[N:6]=[C:7]([O:15][C:16]2[CH:21]=[CH:20][C:19]([CH2:22][C@H:23]([NH:29][C:30]3[C:31](=[O:36])[C:32](=[O:35])[C:33]=3[N:39]3[CH2:45][CH2:44][CH2:43][CH2:42][CH2:41][CH2:40]3)[C:24]([O:26][CH2:27][CH3:28])=[O:25])=[CH:18][CH:17]=2)[C:8]2[C:13]([CH:14]=1)=[CH:12][CH:11]=[N:10][CH:9]=2)[CH:2]([CH3:4])[CH3:3]

Participants

3

Reactant 2

HCID 8119AzepaneHCID 90927538HCID 90927538, compound

Product 1

HCID 91585485HCID 91585485, compound

Procedure

Prepared in a similar manner to the compound of Example 43 from the compound of Example 74 and azepane. δH (d6 DMSO) 9.56 (1H, s), 8.69 (1H, d, J 5.7 Hz), 7.79 (1H, d, J 9.2 Hz), 7.75 (1H, d, J 5.7 Hz), 7.31 (2H, d, J 8.5 Hz), 7.29 (1H, s), 7.20 (2H, d, J 8.5 Hz), 5.16 (1H, m), 4.13 (2H, q, J 7.0 Hz), 3.80-3.40 (4H, br m), 3.27 (1H, dd, J 13.9, 4.5 Hz), 3.06 (1H, dd, J 13.9, 10.7 Hz), 2.45 (2H, masked d), 1.88 (1H, septet, J 6.7 Hz), 1.68-1.50 (4H, m), 1.50-1.35(4H, m), 1.18(3H, t, J 7.1 Hz)and 0.77 (6H, d, J 6.7 Hz); m/z (ES+) 570 (MH+).

Sources & evidence

ORD record
ord-a74ed259f7ff499f8a826e4b656b5922
Source dataset
uspto-grants-2003_04
Patent number
US06545013B2

Reaction notes

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