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

HRID 1266862Notes

Reaction equation

HRID 1266862 reaction equation
C(OC(=O)[NH:7][C:8]1[CH:13]=[C:12]([N:14]2[CH2:19][CH2:18][S:17][CH2:16][CH2:15]2)[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>[CH3:40][C:37]1[CH:36]=[C:35]([C:31]2[CH:30]=[C:29]([C:27]3[CH2:26][C:25](=[O:41])[NH:24][C:9]4[CH:10]=[C:11]([C:20]([F:22])([F:23])[F:21])[C:12]([N:14]5[CH2:15][CH2:16][S:17][CH2:18][CH2:19]5)=[CH:13][C:8]=4[N:7]=3)[CH:34]=[CH:33][CH:32]=2)[O:39][N:38]=1

Participants

4

Reactant 2

HCID 6422Trifluoroacetic acidHCID 86586979(2-{3-[3-(3-Methyl-isoxazol-5-yl)-phenyl]-3-oxo-propionylamino}-5-thiomorpholin-4-yl-4-trifluoromethyl-phenyl)-carbamic acid tert.-butyl ester

Product 1

HCID 185487334-[3-(3-Methyl-isoxazol-5-yl)-phenyl]-7-thiomorpholin-4-yl-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 (2-{3-[3-(3-methyl-isoxazol-5-yl)-phenyl]-3-oxo-propionylamino}-5-thiomorpholin-4-yl-4-trifluoromethyl-phenyl)-carbamic acid tert.-butyl ester (Example M25) (310 mg, 0.5 mmol) by treatment with TFA in CH2Cl2 according to the general procedure N. Obtained as a yellow solid (80 mg).

Sources & evidence

ORD record
ord-2534824d1e9f4283a35a01de12eb46d5
Source dataset
uspto-grants-2003_04
Patent number
US06548495B2

Reaction notes

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