Back
HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1816914Generated: November 2, 2026

(3-Cyano-5-fluorophenyl)boronic acid → 3-Fluoro-5-(5-methyl-2-oxo-5-thien-2-yl-1,2,3,5-tetrahydro-4,1-benzoxazepin-7-yl)benzonitrile

https://huagongshe.com/reaction/1816914

Reaction equation

Participants

RoleNameHCIDCharge
Reactant(3-Cyano-5-fluorophenyl)boronic acidHCID 23435605—
Reactant7-Bromo-5-methyl-5-thien-2-yl-1,5-dihydro-4,1-benzoxazepin-2(3H)-oneHCID 68866109—
Product3-Fluoro-5-(5-methyl-2-oxo-5-thien-2-yl-1,2,3,5-tetrahydro-4,1-benzoxazepin-7-yl)benzonitrileHCID 11164830—

Reaction Steps

Prepared from 7-bromo-5-methyl-5-thien-2-yl-1,5-dihydro-4,1-benzoxazepin-2(3H)-one and 5-fluoro-3-cyanobenzeneboronic acid generally according to the coupling procedure described in example 1. 1H-NMR (DMSO-d6) δ 10.18 (s, 1H), 8.09 (s, 1H), 7.96 (dt, J=9.8, 2.4 Hz, 1H), 7.80 (dt, J=8.3, 1.5 Hz, 1H), 7.76 (dd, J=8.3, 2.0 Hz, 1H), 7.72 (d, J=2.0 Hz, 1H), 7.55 (dd, J=5.4, 1.5 Hz, 1H), 7.28 (d, J=8.3 Hz, 1H), 6.99 (dd, J=4.9, 3.4 Hz, 1H), 6.89 (dd, J=3.4, 1.5 Hz, 1H), 4.17 (d, J=16.1 Hz, 1H), 4.04 (d, J=16.1 Hz, 1H), 2.12 (s, 3H); MS (ES) m/z 379 (M+H)+.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07598237B2
Source datasetuspto-grants-2009_10
ORD IDord-a2a45ea67d9046f3b0d0a1b5028da5c8
Source noteuspto-grants-2009_10