Benzyl isocyanate → HCID 18677047, compound

HRID 1634050Notes

Reaction equation

[N+:1]([C:4]1[CH:5]=[CH:6][C:7]2[O:13][CH2:12][CH2:11][N:10]([CH2:14][C:15]([OH:17])=[O:16])[C:9](=[O:18])[C:8]=2[CH:19]=1)([O-])=O.[CH2:20]([N:27]=[C:28]=[O:29])[C:21]1[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=1>>[CH2:20]([NH:27][C:28](=[O:29])[NH:1][C:4]1[CH:5]=[CH:6][C:7]2[O:13][CH2:12][CH2:11][N:10]([CH2:14][C:15]([OH:17])=[O:16])[C:9](=[O:18])[C:8]=2[CH:19]=1)[C:21]1[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=1

Participants

Reactant 2

HCID 76639Benzyl isocyanate

HCID 18677073HCID 18677073, compound

Product 1

HCID 18677047HCID 18677047, compound

Procedure

Catalytic hydrogenation of (7-nitro-5-oxo-2,3-dihydro-5H-benzo[f][1,4]oxazepin-4-yl)-acetic acid (Example 15 c) followed by treatment of the resulting amine with benzylisocyanate yielded [7-(3-benzyl-ureido)-5-oxo-2,3-dihydro-5H-benzo[f][1,4]oxazepin-4-yl]-acetic acid: mp. 60-70° C. (dec.); MS (ISP): 370 (M+1)+.

Sources & evidence

ORD record: ord-1a59e36431744dc5837e3e809fc02434
Source dataset: uspto-grants-2003_01
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US06506744B1

Reaction notes

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