3-Bromo-2-fluorobenzonitrile → HCID 24956375, compound

HRID 2252603Notes

Reaction equation

HRID 2252603 reaction equation
Br[C:2]1[CH:3]=[CH:4][C:5]2[NH:11][C:10](=[O:12])[CH2:9][O:8][C:7]([CH3:14])([CH3:13])[C:6]=2[CH:15]=1.Br[C:17]1[C:18]([F:25])=[C:19]([CH:22]=[CH:23][CH:24]=1)[C:20]#[N:21]>>[CH3:13][C:7]1([CH3:14])[C:6]2[CH:15]=[C:2]([C:24]3[CH:23]=[CH:22][C:19]([C:20]#[N:21])=[C:18]([F:25])[CH:17]=3)[CH:3]=[CH:4][C:5]=2[NH:11][C:10](=[O:12])[CH2:9][O:8]1

Participants

3

Reactant 2

HCID 27612003-Bromo-2-fluorobenzonitrileHCID 688658147-bromo-5,5-dimethyl-1,5-dihydro-4,1-benzoxazepin-2(3H)-one

Product 1

HCID 24956375HCID 24956375, compound

Procedure

Prepared from 7-bromo-5,5-dimethyl-1,5-dihydro-4,1-benzoxazepin-2(3H)-one and 3-bromo-2-fluorobenzonitrile generally according to the coupling procedure described in examples 82 and 1. 1H NMR (DMSO-d6): δ 10.08 (s, 1H), 7.92-7.99 (m, 2H), 7.77-7.79 (m, 1H), 7.64-7.69 (m, 2H), 7.22 (d, J=8.39 Hz, 1H), 4.28 (s, 2H), 1.62 (s, 6H). MS (ESI) m/z 311 ([M+H]+); MS (ESI) m/z 309 ([M−H]−).

Sources & evidence

ORD record
ord-61603e6c45664a49abb578d41506c051
Source dataset
uspto-grants-2008_01
Patent number
US07323455B2

Reaction notes

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