Benzyl isocyanate → HCID 70000109, compound

HRID 1634051Notes

Reaction equation

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

Participants

Reactant 2

HCID 76639Benzyl isocyanate

HCID 70001560HCID 70001560, compound

Product 1

HCID 70000109HCID 70000109, compound

Procedure

Treatment of (S)-2-[2-[2-(7-amino-5-oxo-2,3-dihydro-5H-benzo[f][1,4]oxazepin-4-yl)-acetylamino]-3-carboxy-propionylamino]-benzoic acid with benzylisocyanate as described in Example 1 d), gave (S)-2-[2-[2-[7-(3-benzyl-ureido)-5-oxo-2,3-dihydro-5-H-benzo[f][1,4]oxazepin-4-yl]-acetylamino]-3-carboxy-propionylamino]-benzoic acid as acetate salt: mp. 166° C. (dec.); MS (ISP): 604 (M+1)+.

Workup

customas described in Example 1 d

Sources & evidence

ORD record: ord-ef3b74ced5a2414bb1e6258509b5396c
Source dataset: uspto-grants-2003_01
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US06506744B1

Reaction notes

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