Trifluoroacetic acid → 8-Dimethylamino-2-[3-(3-methyl-isoxazol-5-yl)-phenyl]-4-oxo-4,5-dihydro-3H-benzo[b][1,4]diazepine-7-carbonitrile

HRID 1265841Notes

Reaction equation

HRID 1265841 reaction equation
C(OC(=O)[NH:7][C:8]1[CH:13]=[C:12]([N:14]([CH3:16])[CH3:15])[C:11]([C:17]#[N:18])=[CH:10][C:9]=1[NH:19][C:20](=[O:36])[CH2:21][C:22]([C:24]1[CH:29]=[CH:28][CH:27]=[C:26]([C:30]2[O:34][N:33]=[C:32]([CH3:35])[CH:31]=2)[CH:25]=1)=O)(C)(C)C.C(O)(C(F)(F)F)=O>C(Cl)Cl>[CH3:15][N:14]([CH3:16])[C:12]1[C:11]([C:17]#[N:18])=[CH:10][C:9]2[NH:19][C:20](=[O:36])[CH2:21][C:22]([C:24]3[CH:29]=[CH:28][CH:27]=[C:26]([C:30]4[O:34][N:33]=[C:32]([CH3:35])[CH:31]=4)[CH:25]=3)=[N:7][C:8]=2[CH:13]=1

Participants

4

Reactant 2

HCID 6422Trifluoroacetic acidHCID 86586921HCID 86586921, compound

Product 1

HCID 186134368-Dimethylamino-2-[3-(3-methyl-isoxazol-5-yl)-phenyl]-4-oxo-4,5-dihydro-3H-benzo[b][1,4]diazepine-7-carbonitrile

Reagents, catalysts & solvents 1

HCID 6344DichloromethaneSolvent

Procedure

The title compound was prepared from (4-cyano-5-dimethylamino-2-{3-[3-(3-methyl-isoxazol-5-yl)-phenyl]-3-oxo-propionylamino}-phenyl)-carbamic acid tert-butyl ester (Example M85) (0.31 g, 0.62 mmol) by treatment with TFA in CH2Cl2 according to the general procedure N. Obtained as a light yellow solid (171 mg, 72%).

Sources & evidence

ORD record
ord-93fa54120bfe4d428b78535cb4e97cc0
Source dataset
uspto-grants-2003_04
Patent number
US06544985B2

Reaction notes

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