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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2373959Generated: October 31, 2026

Anisole → N1-(4-(2-Aminopyrimidin-4-yloxy)-3-fluorophenyl)-N3-(4-fluorophenyl)malonamide

https://huagongshe.com/reaction/2373959

Reaction equation

Participants

RoleNameHCIDCharge
ReactantAnisoleHCID 7519—
ReactantN1-(4-(2-(4-Methoxybenzylamino)pyrimidin-4-yloxy)-3-fluorophenyl)-N3-(4-fluorophenyl)malonamideHCID 59852883—
SolventTrifluoroacetic acidHCID 6422—
ProductN1-(4-(2-Aminopyrimidin-4-yloxy)-3-fluorophenyl)-N3-(4-fluorophenyl)malonamideHCID 5985305663%

Reaction Conditions

Temperature85 °C

Reaction Steps

A mixture of N1-(4-(2-(4-methoxybenzylamino)pyrimidin-4-yloxy)-3-fluorophenyl)-N3-(4-fluorophenyl)malonamide (Example 14, 25 mg, 0.048 mmol), anisole (52 mg, 0.48 mmol) in TFA (1 mL) was heated at 85° C. for 6 h. The TFA was removed under vacuum and the residue partitioned between EtOAc and saturated aq. NaHCO3 solution. The EtOAc phase was washed with brine, dried (MgSO4), and concentrated in vacuo. Flash chromatography on SiO2 using EtOAc then 1-2% MeOH in CH2Cl2 as eluents gave the title compound (12 mg, 63%) as an off-white solid. 1H NMR (DMSO-d6) δ 11.00 (s, 1H), 10.51 (s, 1H), 8.02 (s, 1H), 7.66 (dd, 1H, J=12.6, 2.0 Hz), 7.42-7.31 (m, 2H), 7.32-7.27 (m, 1H), 7.23 (t, 2H, J=8.6 Hz), 7.16 (t, 2H, J=9.1 Hz), 6.91 (s, 2H), 3.73 (s, 2H); MS(ESI+) m/z 400.11 (M+H)+.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07459562B2
Source datasetuspto-grants-2008_12
ORD IDord-91916e6f7b3f444c8eed8512a91589f2
Source noteuspto-grants-2008_12