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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 511347Generated: October 28, 2026

Diethyl (4-{[4-{[4-fluoro-2-(methylcarbamoyl)phenyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-3-methoxybenzyl)phosphonate → Diethyl (3-fluoro-5-methoxy-4-{[4-{[2-(methylcarbamoyl)phenyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}benzyl)phosphonate

https://huagongshe.com/reaction/511347

Reaction equation

Participants

RoleNameHCIDCharge
ReactantDiethyl (4-{[4-{[4-fluoro-2-(methylcarbamoyl)phenyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-3-methoxybenzyl)phosphonateHCID 49822431—
Reactant2-((2-Chloro-5-(trifluoromethyl)pyrimidin-4-yl)amino)-N-methylbenzamideHCID 86633861—
ReactantDiethyl (4-amino-3-fluoro-5-methoxybenzyl)phosphonateHCID 86654022—
ProductDiethyl (3-fluoro-5-methoxy-4-{[4-{[2-(methylcarbamoyl)phenyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}benzyl)phosphonateHCID 58292898—

Reaction Steps

The title compound was prepared using the procedure from Example 102 (Diethyl (4-{[4-{[4-fluoro-2-(methylcarbamoyl)phenyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-3-methoxybenzyl)phosphonate) with 2-{[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino}-N-methylbenzamide (Compound 104A) and Diethyl (4-amino-3-fluoro-5-methoxybenzyl)phosphonate (Compound 146A). 1H NMR (CD3OD, 400 MHz): δ=1.30 (t, J=7.07 Hz, 6 H), 2.90 (s, 3 H), 3.33-3.40 (m, 2 H), 3.85 (s, 3 H), 4.06-4.18 (m, 4 H), 6.88 (dt, J=10.11, 2.02 Hz, 1 H), 6.95 (s, 1 H), 7.17 (br. s., 1 H), 7.37 (br. s., 1 H), 7.64 (d, J=6.82 Hz, 1 H), 8.29 (br. s., 2 H). MS (ES+): m/z 586.21 [MH+] (TOF, polar).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09096624B2
Source datasetuspto-grants-2015_08
ORD IDord-0a97517f049d4e5597bee7d054f0cf58
Source noteuspto-grants-2015_08