Methyl Isocyanate → HCID 22877440, compound

HRID 1740257Notes

Reaction equation

HRID 1740257 reaction equation
[CH2:1]([O:8][C:9]([NH:11][C:12]([CH3:45])([CH3:44])[C:13]([NH:15][C@@H:16]1[CH2:22][CH2:21][C:20]2[CH:23]=[C:24]([F:27])[CH:25]=[CH:26][C:19]=2[N:18]([CH2:28][C:29]2[CH:34]=[CH:33][C:32]([C:35]3[CH:40]=[CH:39][CH:38]=[CH:37][C:36]=3[CH2:41][NH2:42])=[CH:31][CH:30]=2)[C:17]1=[O:43])=[O:14])=[O:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.FC(F)(F)C([O-])=O.[CH3:53][N:54]=[C:55]=[O:56]>>[CH2:1]([O:8][C:9]([NH:11][C:12]([CH3:45])([CH3:44])[C:13]([NH:15][C@@H:16]1[CH2:22][CH2:21][C:20]2[CH:23]=[C:24]([F:27])[CH:25]=[CH:26][C:19]=2[N:18]([CH2:28][C:29]2[CH:30]=[CH:31][C:32]([C:35]3[CH:40]=[CH:39][CH:38]=[CH:37][C:36]=3[CH2:41][NH:42][C:55]([NH:54][CH3:53])=[O:56])=[CH:33][CH:34]=2)[C:17]1=[O:43])=[O:14])=[O:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1

Participants

4

Reactant 3

HCID 12228Methyl IsocyanateHCID 84468TrifluoroacetateHCID 22877441HCID 22877441, compound

Product 1

HCID 22877440HCID 22877440, compound

Procedure

Prepared from 2-benzyloxycarbonylamino-2-methyl-N-[7-fluoro-2,3,4,5-tetrahydro-2-oxo-1-[[2'-(aminomethyl) [1,1'-biphenyl ]-4-yl]methyl]-1H-benzazepin-3(R)-yl]propanamide, trifluoroacetate (Step G) and methyl isocyanate according to the procedure described in Example 35, Step I. 1H NMR (400 MHz, CDCl3): δ 1.44 (s, 3H), 1.45 (s, 3H), 1.78 (m, 1H), 1.85 (s, 1H), 2.30-2.60 (m,3H), 2.57 (d, 4 Hz, 3H), 4.18 (d, 5 Hz, 2H), 4.40 (m, 1H), 4.62 (m, 1H), 4.80 (m, 2H), 5.00 (s, 2H), 5.17 (d, 15 Hz, 1H), 540 (s, 1H), 6.85 (m, 1H), 6.96 (m, 1H), 7.08-7.35 (m, 13H), 7.39 (m, 1H). FAB-MS: calculated for C38H40FN5O5 665; found 666 (M+H, 100%).

Sources & evidence

ORD record
ord-33a5620559354b6b95ccc4a50bc02155
Source dataset
uspto-grants-1999_10
Patent number
US05968924

Reaction notes

Loading…