Trifluoroacetic acid → 7-(Isobutyl-methyl-amino)-4-[3-(3-methyl-isoxazol-5-yl)-phenyl]-8-trifluoromethyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one

HRID 1265854Notes

Reaction equation

HRID 1265854 reaction equation
C(OC(=O)[NH:7][C:8]1[CH:13]=[C:12]([N:14]([CH2:16][CH:17]([CH3:19])[CH3:18])[CH3:15])[C:11]([C:20]([F:23])([F:22])[F:21])=[CH:10][C:9]=1[NH:24][C:25](=[O:41])[CH2:26][C:27]([C:29]1[CH:34]=[CH:33][CH:32]=[C:31]([C:35]2[O:39][N:38]=[C:37]([CH3:40])[CH:36]=2)[CH:30]=1)=O)(C)(C)C.C(O)(C(F)(F)F)=O>C(Cl)Cl>[CH2:16]([N:14]([CH3:15])[C:12]1[C:11]([C:20]([F:21])([F:23])[F:22])=[CH:10][C:9]2[NH:24][C:25](=[O:41])[CH2:26][C:27]([C:29]3[CH:34]=[CH:33][CH:32]=[C:31]([C:35]4[O:39][N:38]=[C:37]([CH3:40])[CH:36]=4)[CH:30]=3)=[N:7][C:8]=2[CH:13]=1)[CH:17]([CH3:18])[CH3:19]

Participants

4

Reactant 2

HCID 6422Trifluoroacetic acidHCID 86586888HCID 86586888, compound

Product 1

HCID 101400767-(Isobutyl-methyl-amino)-4-[3-(3-methyl-isoxazol-5-yl)-phenyl]-8-trifluoromethyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one

Reagents, catalysts & solvents 1

HCID 6344DichloromethaneSolvent

Procedure

The title compound was prepared from (5-(isobutyl-methyl-amino)-2-{3-[3-(3-methyl-isoxazol-5-yl)-phenyl]-3-oxo-propionylamino}-4-trifluoromethyl-phenyl)-carbamic acid tert-butyl ester (Example M105) (0.42 g, 0.71 mmol) by treatment with TFA in CH2Cl2 according to the general procedure N. Obtained as a yellow solid (161 mg, 48%).

Sources & evidence

ORD record
ord-c29a5171973644b6a1d7aa36c582bdfb
Source dataset
uspto-grants-2003_04
Patent number
US06544985B2

Reaction notes

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