HuagongsheHuagongshe Chemistry Print Report · For research reference only
Ethyl hydrogen (4-{[4-({2-(diethylcarbamoyl)-4-[1-(3-hydroxypropyl)-1H-pyrazol-4-yl]phenyl}amino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-3-methoxybenzyl)phosphonate → HCID 86697753, compound
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | Ethyl hydrogen (4-{[4-({2-(diethylcarbamoyl)-4-[1-(3-hydroxypropyl)-1H-pyrazol-4-yl]phenyl}amino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-3-methoxybenzyl)phosphonate | HCID 86697678 | — |
| Reactant | diethyl (4-{[4-({6-[1-(3-hydroxypropyl)-1H-pyrazol-4-yl]-2-(methylcarbamoyl)pyridin-3-yl}amino)-5-(trifluoromethyl)pyridin-2-yl]amino}-3-methoxybenzyl)phosphonate | HCID 86697754 | — |
| Product | HCID 86697753 | HCID 86697753 | — |
Reaction Steps
Prepared analogously to Compound 3A using diethyl (4-{[4-({6-[1-(3-hydroxypropyl)-1H-pyrazol-4-yl]-2-(methylcarbamoyl)pyridin-3-yl}amino)-5-(trifluoromethyl)pyridin-2-yl]amino}-3-methoxybenzyl)phosphonate (Compound 36B). 1H NMR (400 MHz, CD3OD) δ 8.39 (s, 1H), 8.20 (s, 1H), 8.17 (s, 1H), 7.92 (d, J=8.8 Hz, 1H), 7.72 (d, J=8.8 Hz, 1H), 7.46 (d, J=7.8 Hz, 1H), 7.08 (t, J=1.8 Hz, 1H), 6.88 (td, J=2.0, 8.1 Hz, 1H), 6.63 (s, 1H), 4.31 (t, J=6.8 Hz, 2H), 3.88 (s, 3H), 3.74 (quin, J=7 Hz, 2H), 3.57 (t, J=6.1 Hz, 2H), 2.89-2.98 (m, 5H), 2.10 (quin, J=6.5 Hz, 2H), 1.03 (t, J=7.1 Hz, 3H). MS (ESI): m/z 664.21 [M+H]+. UPLC: tR=1.06 min (UPLC-TOF: polar—3 min).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US09133224B2 |
| Source dataset | uspto-grants-2015_09 |
| ORD ID | ord-84f15c97fb674001b6decf2e870dbfd3 |
| Source note | uspto-grants-2015_09 |