HCID 66934671, compound → 4-(9-Chloro-5,7-dimethyl-6-oxo-6,7-dihydro-5H-benzo[b]pyrimido[4,5-d]azepin-2-ylamino)-benzoic acid

HRID 544994Notes

Reaction equation

HRID 544994 reaction equation
[Cl:1][C:2]1[CH:3]=[CH:4][C:5]2[C:11](=O)[C:10](=[CH:13]N(C)C)[CH:9]([CH3:17])[C:8](=[O:18])[N:7]([CH3:19])[C:6]=2[CH:20]=1.[NH:21]([C:25]1[CH:33]=[CH:32][C:28]([C:29]([OH:31])=[O:30])=[CH:27][CH:26]=1)[C:22]([NH2:24])=[NH:23]>>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]2[C:11]3[N:23]=[C:22]([NH:21][C:25]4[CH:33]=[CH:32][C:28]([C:29]([OH:31])=[O:30])=[CH:27][CH:26]=4)[N:24]=[CH:13][C:10]=3[CH:9]([CH3:17])[C:8](=[O:18])[N:7]([CH3:19])[C:6]=2[CH:20]=1

Participants

3

Reactant 2

HCID 66934671HCID 66934671, compoundHCID 178512548HCID 178512548, compound

Product 1

HCID 576631534-(9-Chloro-5,7-dimethyl-6-oxo-6,7-dihydro-5H-benzo[b]pyrimido[4,5-d]azepin-2-ylamino)-benzoic acid

Procedure

In a manner similar to that described for method I, 8-chloro-4-dimethylaminomethylene-1,3-dimethyl-3,4-dihydro-1H-benzo[b]azepine-2,5-dione (v-o) and 4-guanidinobenzoic acid were converted to I-68 (6%) after purification by C-18 RP LC-MS chromatography: HRMS Calcd. for C21H17ClN4O3: 409.1067, Found 409.1052.

Workup

  1. customafter purification by C-18 RP LC-MS chromatography

Sources & evidence

ORD record
ord-77a215b1fda84946be8cde78707adddf
Source dataset
uspto-grants-2011_05
Patent number
US07935694B2

Reaction notes

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