Trifluoroacetic acid → 3-(7-Isopropyl-4-oxo-4,5-dihydro-3H-benzo[b][1,4]diazepin-2-yl)-benzonitrile

HRID 1062226Notes

Reaction equation

HRID 1062226 reaction equation
C(OC(=O)[NH:7][C:8]1[CH:13]=[CH:12][C:11]([CH:14]([CH3:16])[CH3:15])=[CH:10][C:9]=1[NH:17][C:18](=[O:30])[CH2:19][C:20]([C:22]1[CH:27]=[CH:26][CH:25]=[C:24]([C:28]#[N:29])[CH:23]=1)=O)(C)(C)C.C(O)(C(F)(F)F)=O>C(Cl)Cl>[CH:14]([C:11]1[CH:12]=[CH:13][C:8]2[N:7]=[C:20]([C:22]3[CH:23]=[C:24]([CH:25]=[CH:26][CH:27]=3)[C:28]#[N:29])[CH2:19][C:18](=[O:30])[NH:17][C:9]=2[CH:10]=1)([CH3:16])[CH3:15]

Participants

4

Reactant 2

HCID 6422Trifluoroacetic acidHCID 86588071{2-[3-(3-Cyano-phenyl)-3-oxo-propionylamino]-4-isopropyl-phenyl}-carbamic acid tert.-butyl ester

Product 1

HCID 222249433-(7-Isopropyl-4-oxo-4,5-dihydro-3H-benzo[b][1,4]diazepin-2-yl)-benzonitrile

Reagents, catalysts & solvents 1

HCID 6344DichloromethaneSolvent

Procedure

Prepared from {2-[3-(3-cyano-phenyl)-3-oxo-propionylamino]-4-isopropyl-phenyl}-carbamic acid tert.-butyl ester (Example K86) by treatment with TFA in CH2Cl2 according to the general procedure M. Obtained as an off-white solid (25 mg).

Sources & evidence

ORD record
ord-5bd931ac5fb54be5bf784670210f2ac0
Source dataset
uspto-grants-2005_11
Patent number
US06960578B2

Reaction notes

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