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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2279785Generated: November 1, 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-({3-chloro-4-[1-(3-hydroxypropyl)-1H-pyrazol-4-yl]-2-(methylcarbamoyl)phenyl}amino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-3-methoxy benzyl)phosphonate

https://huagongshe.com/reaction/2279785

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—
Reactant6-amino-2-chloro-3-[1-(3-hydroxypropyl)-1H-pyrazol-4-yl]-N-methylbenzamideHCID 86697735—
ProductDiethyl (4-{[4-({3-chloro-4-[1-(3-hydroxypropyl)-1H-pyrazol-4-yl]-2-(methylcarbamoyl)phenyl}amino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-3-methoxy benzyl)phosphonateHCID 866977343%

Reaction Steps

Prepared analogously to Compound 1B replacing Compound 1C with 6-amino-2-chloro-3-[1-(3-hydroxypropyl)-1H-pyrazol-4-yl]-N-methylbenzamide (Compound 28C, 274 mg, 887 μmol) to afford 21 mg of the title compound (3%). 1H NMR (400 MHz, CD3OD) δ=8.31 (s, 1H), 8.17 (s, 1H), 7.93 (s, 1H), 7.84 (d, J=7.8 Hz, 1H), 7.79 (d, J=8.6 Hz, 1H), 7.65 (d, J=8.6 Hz, 1H), 6.94 (t, J=2.0 Hz, 1H), 6.66 (d, J=7.8 Hz, 1H), 4.34 (t, J=6.8 Hz, 2H), 3.95-4.05 (m, 4H), 3.89 (s, 3H), 3.59 (t, J=6.2 Hz, 2H), 3.20 (s, 1H), 3.14 (s, 1H), 2.86 (s, 3H), 2.11 (quin, J=6.6 Hz, 2H), 1.22 (t, J=7.1 Hz, 6H). MS (ESI): m/z=726.19 [M+H]+. UPLC: tR=1.32 min (UPLC-TOF: polar—3 min).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09133224B2
Source datasetuspto-grants-2015_09
ORD IDord-da1c5d42f1774db794793bf0c0a69fca
Source noteuspto-grants-2015_09