HuagongsheHuagongshe Chemistry Print Report · For research reference only
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
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | Diethyl (4-{[4-{[4-fluoro-2-(methylcarbamoyl)phenyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-3-methoxybenzyl)phosphonate | HCID 49822431 | — |
| Reactant | 2-((2-Chloro-5-(trifluoromethyl)pyrimidin-4-yl)amino)-N-methylbenzamide | HCID 86633861 | — |
| Reactant | Diethyl (4-amino-3-fluoro-5-methoxybenzyl)phosphonate | HCID 86654022 | — |
| Product | Diethyl (3-fluoro-5-methoxy-4-{[4-{[2-(methylcarbamoyl)phenyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}benzyl)phosphonate | HCID 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
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US09096624B2 |
| Source dataset | uspto-grants-2015_08 |
| ORD ID | ord-0a97517f049d4e5597bee7d054f0cf58 |
| Source note | uspto-grants-2015_08 |