HuagongsheHuagongshe Chemistry Print Report · For research reference only
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-({4-[1-(3-hydroxypropyl)-1H-pyrazol-4-yl]-3-methoxy-2-(methyl carbamoyl)phenyl}amino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-3-methoxy benzyl)phosphonate
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | 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 | HCID 58292892 | — |
| Reactant | 6-amino-3-[1-(3-hydroxypropyl)-1H-pyrazol-4-yl]-2-methoxy-N-methyl benzamide | HCID 67816787 | — |
| Product | diethyl (4-{[4-({4-[1-(3-hydroxypropyl)-1H-pyrazol-4-yl]-3-methoxy-2-(methyl carbamoyl)phenyl}amino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-3-methoxy benzyl)phosphonate | HCID 86697741 | — |
Reaction Steps
Prepared analogously to Compound 1B replacing Compound 1C with 6-amino-3-[1-(3-hydroxypropyl)-1H-pyrazol-4-yl]-2-methoxy-N-methyl benzamide (Compound 30C). 1H NMR (CD3OD, 400 MHz): δ 8.31 (s, 1H), 8.17 (s, 1H), 8.00 (s, 1H), 7.92 (d, J=8.4 Hz, 1H), 7.84 (d, J=8.6 Hz, 1H), 7.67 (d, J=8.6 Hz, 1H), 6.96 (t, J=2.0 Hz, 1H), 6.70 (d, J=8.3 Hz, 1H), 4.33 (t, J=6.8 Hz, 2H), 3.99 (m, 4H), 3.90 (s, 3H), 3.66 (s, 3H), 3.58 (t, J=6.3 Hz, 2H), 3.19 (d, J=21.5 Hz, 2H), 2.92 (s, 3H), 2.11 (m, 2H), 1.22 (t, J=7.1 Hz, 6H). MS (ESI): m/z=722.53 [M+H]+. HPLC: tR=3.63 min (ZQ3: polar—5 min).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US09133224B2 |
| Source dataset | uspto-grants-2015_09 |
| ORD ID | ord-bafc71716b694beb94e9a35536701731 |
| Source note | uspto-grants-2015_09 |