Back
HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1041163Generated: November 1, 2026

5,5-Dimethyl-2,3,4,5-tetrahydro-benzo[b]oxepin-9-ylamine → {2-[5-Chloro-2-(5,5-dimethyl-2,3,4,5-tetrahydro-benzo[b]oxepin-9-ylamino)-pyrimidin-4-ylamino]-phenoxy}-acetonitrile

https://huagongshe.com/reaction/1041163

Reaction equation

Participants

RoleNameHCIDCharge
Reactant5,5-Dimethyl-2,3,4,5-tetrahydro-benzo[b]oxepin-9-ylamineHCID 67264334—
Reactant[2-(2,5-Dichloropyrimidin-4-ylamino)-phenoxy]acetonitrileHCID 86633910—
Product{2-[5-Chloro-2-(5,5-dimethyl-2,3,4,5-tetrahydro-benzo[b]oxepin-9-ylamino)-pyrimidin-4-ylamino]-phenoxy}-acetonitrileHCID 25159009—

Reaction Steps

The title compound was prepared from 5,5-dimethyl-2,3,4,5-tetrahydro-benzo[b]oxepin-9-ylamine and [2-(2,5-dichloro-pyrimidin-4-ylamino)-phenoxy]-acetonitrile in an analogous manner to Example 179 heating at 130° C. Product was isolated as a white solid (26 mg, 34%). LCMS (m/e) 450 (M+H); 1H NMR (400 MHz, CDCl3) δ 10.58 (broad s, 1H), 8.15 (s, 1H), 8.08 (d, 1H, J=8.1 Hz), 7.93 (s, 1H), 7.55 (d, 1H, J=7.6 Hz), 7.19 (m, 2H), 7.03 (d, 1H, J=8.34 Hz), 6.97 (m, 2H), 4.88 (s, 2H), 4.02 (m, 2H), 2.01 (m, 2H), 1.67 (m, 2H), 1.37 (s, 6H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08552186B2
Source datasetuspto-grants-2013_10
ORD IDord-85f3c8960b8441ec9025d2dbc8f11a8c
Source noteuspto-grants-2013_10