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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2279764Generated: October 31, 2026

Diethyl (4-{[4-({7-[1-(3-hydroxypropyl)-1H-pyrazol-4-yl]-2-methyl-3-oxo-2,3-dihydro-1H-isoindol-4-yl}amino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-3-methoxybenzyl)phosphonate → diethyl (4-{[4-({6-[1-(3-hydroxy-2-methylpropyl)-1H-pyrazol-4-yl]-2-(methylcarbamoyl)pyridin-3-yl}amino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}benzyl)phosphonate

https://huagongshe.com/reaction/2279764

Reaction equation

Participants

RoleNameHCIDCharge
ReactantDiethyl (4-{[4-({7-[1-(3-hydroxypropyl)-1H-pyrazol-4-yl]-2-methyl-3-oxo-2,3-dihydro-1H-isoindol-4-yl}amino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-3-methoxybenzyl)phosphonateHCID 58292892—
ReactantDiethyl (4-{[4-chloro-5-(trifluoromethyl) pyrimidin-2-yl]amino}-3-methoxybenzyl)phosphonateHCID 86654002—
ReactantDiethyl (4-{[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]amino}benzyl)phosphonateHCID 86654003—
Reactant3-amino-6-[1-(3-hydroxy-2-methylpropyl)-1H-pyrazol-4-yl]-N-methylpyridine-2-carboxamideHCID 86697713—
Productdiethyl (4-{[4-({6-[1-(3-hydroxy-2-methylpropyl)-1H-pyrazol-4-yl]-2-(methylcarbamoyl)pyridin-3-yl}amino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}benzyl)phosphonateHCID 86697716—

Reaction Steps

Prepared analogously to Compound 1B replacing Compound 1C with 3-amino-6-[1-(3-hydroxy-2-methylpropyl)-1H-pyrazol-4-yl]-N-methylpyridine-2-carboxamide (Compound 18C) and Compound 1E with Compound 2C. 1H NMR (CD3OD, 400 MHz): δ=9.20 (br. s., 1H) 8.45 (s, 1H) 8.36 (s, 1H) 8.25 (s, 1H) 7.75 (d, J=8.8 Hz, 1H) 7.54 (d, J=7.3 Hz, 2H) 7.32 (d, J=7.6 Hz, 2H) 4.29 (dd, J=13.6, 6.32 Hz, 1H) 4.06 (quin, J=7.1 Hz, 5H) 3.47 (d, J=5.3 Hz, 2H) 3.30 (d, J=21.0 Hz, 2H, obscured) 3.00 (s, 3H) 2.21-2.32 (m, 1H) 1.25 (t, J=7.1 Hz, 6H) 0.95 (d, J=6.8 Hz, 3H). MS (ESI): m/z=677.80 [M+H]+. UPLC: tR=1.26 min (UPLC-SQD: analytical—2 min).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09133224B2
Source datasetuspto-grants-2015_09
ORD IDord-d692603f1fa44f9398570040452b702f
Source noteuspto-grants-2015_09