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

HRID 1745771Notes

Reaction equation

HRID 1745771 reaction equation
C(OC(=O)[NH:7][C:8]1[CH:13]=[CH:12][C:11]([C:14]#[C:15][C:16]2C=C[C:19]([F:22])=[CH:18][C:17]=2F)=[CH:10][C:9]=1[NH:24][C:25](=[O:37])[CH2:26][C:27]([C:29]1[CH:34]=[CH:33][CH:32]=[C:31]([C:35]#[N:36])[CH:30]=1)=O)(C)(C)C.[C:39](O)([C:41]([F:44])(F)F)=O>C(Cl)Cl>[F:44][C:41]1[CH:39]=[C:19]([F:22])[CH:18]=[CH:17][C:16]=1[C:15]#[C:14][C:11]1[CH:12]=[CH:13][C:8]2[N:7]=[C:27]([C:29]3[CH:30]=[C:31]([CH:32]=[CH:33][CH:34]=3)[C:35]#[N:36])[CH2:26][C:25](=[O:37])[NH:24][C:9]=2[CH:10]=1

Participants

4

Reactant 2

HCID 6422Trifluoroacetic acidHCID 86588080[2-[3-(3-Cyano-phenyl)-3-oxo-propionylamino]-4-(2,4-difluoro-phenylethynyl)-phenyl]-carbamic acid tert.-butyl ester

Product 1

HCID 22224756(E)-3-(7-(2-(2,4-difluorophenyl)ethynyl)-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-(2,4-difluoro-phenylethynyl)-phenyl]-carbamic acid tert.-butyl ester (Example K96) by treatment with TFA in CH2Cl2 according to the general procedure M. Obtained as a light yellow solid (87 mg).

Sources & evidence

ORD record
ord-a10cde3d4ab64e53a6af206abbc3dbf5
Source dataset
uspto-grants-2006_03
Patent number
US07018998B2

Reaction notes

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