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 → HCID 86697727, compound
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 | 2-amino-5-[1-(3-hydroxypropyl)-1H-pyrazol-4-yl]-N-methoxybenzamide | HCID 86697728 | — |
| Product | HCID 86697727 | HCID 86697727 | 28% |
Reaction Steps
Prepared analogously to Compound 1B replacing Compound 1C with 2-amino-5-[1-(3-hydroxypropyl)-1H-pyrazol-4-yl]-N-methoxybenzamide (Compound 26C, 169 mg, 583 μmol) to afford 114 mg of the title compound (28%). 1H NMR (400 MHz, CD3OD) δ=8.33 (s, 1H), 8.14 (s, 1H), 7.96 (d, J=0.5 Hz, 1H), 7.92 (d, J=8.1 Hz, 1H), 7.77 (d, J=2.0 Hz, 1H), 7.71 (dd, J=2.2, 8.7 Hz, 1H), 7.00 (t, J=2.2 Hz, 1H), 6.81 (d, J=8.3 Hz, 1H), 4.31 (t, J=7.0 Hz, 2H), 3.99-4.08 (m, 4H), 3.90 (s, 3H), 3.81 (s, 3H), 3.58 (t, J=6.1 Hz, 2H), 3.24 (d, J=21.0 Hz, 2H), 2.10 (quin. J=6.6 Hz, 2H), 1.24 (t, J=7.1 Hz, 6H). MS (ESI): m/z=708.72 [M+H]+. UPLC: tR=1.13 min (UPLC-SQD: analytical—2 min).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US09133224B2 |
| Source dataset | uspto-grants-2015_09 |
| ORD ID | ord-7430dd1249d94afb8a16945ea776fe5d |
| Source note | uspto-grants-2015_09 |