5-Bromo-2-fluorobenzonitrile → 5-(5,5-Dimethyl-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-7-yl)-2-fluorobenzonitrile

Participants

Role	Name	HCID	Charge
Reactant	5-Bromo-2-fluorobenzonitrile	HCID 2724900	—
Reactant	7-bromo-5,5-dimethyl-1,5-dihydro-4,1-benzoxazepin-2(3H)-one	HCID 68865814	—
Product	5-(5,5-Dimethyl-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-7-yl)-2-fluorobenzonitrile	HCID 24957098	—

Reaction Steps

Prepared from 7-bromo-5,5-dimethyl-1,5-dihydro-4,1-benzoxazepin-2(3H)-one and 5-bromo-2-fluorobenzonitrile generally according to the coupling procedure described in examples 82 and 1. 1H-NMR (DMSO-d6) δ 10.02 (s, 1H), 8.32 (dd, J=6.3, 2.4 Hz, 1H), 8.11 (m, 1H), 7.62 (m, 1H), 7.58 (m, 2H), 7.19 (d, J=8.8 Hz, 1H), 4.26 (s, 2H), 1.62 (s, 6H); MS (ES) m/z 311 (M+H)+.

Provenance & Evidence

DOI	10.6084/m9.figshare.5104873.v1
Patent number	US07598237B2
Source dataset	uspto-grants-2009_10
ORD ID	ord-0d95572e1f2e4504a68c2187ed1bfa6a
Source note	uspto-grants-2009_10