HuagongsheHuagongshe Chemistry Print Report · For research reference only
Acryloyl chloride → HCID 71474586, compound
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | Acryloyl chloride | HCID 13140 | — |
| Reactant | tert-Butyl 4-(aminomethyl)-4-hydroxypiperidine-1-carboxylate | HCID 23396319 | — |
| Reactant | 5,6-Dichloro-pyrimidin-4-ylamine | HCID 24219262 | — |
| Reactant | B-[4-[3-(Trifluoromethyl)phenoxy]phenyl]boronic acid | HCID 57978431 | — |
| Product | HCID 71474586 | HCID 71474586 | — |
Reaction Steps
1-(4-(((6-amino-5-(4-(3-(trifluoromethyl)phenoxy)phenyl)pyrimidin-4-yl)amino)methyl)-4-hydroxypiperidin-1-yl)prop-2-en-1-one was prepared from 5,6-dichloropyrimidin-4-amine, tert-butyl 4-(aminomethyl)-4-hydroxypiperidine-1-carboxylate, (4-(3-(trifluoromethyl)phenoxy)phenyl)boronic acid, and acryloyl chloride using methods B, C, D, and F. HPLC: 99%. MS: m/z=514 [M+H]+. 1H NMR (500 MHz, dmso) δ 7.88 (s, 1H), 7.57 (t, J=7.9 Hz, 1H), 7.44 (d, J=7.8 Hz, 1H), 7.38 (s, 1H), 7.32 (dd, J=8.2, 2.3 Hz, 1H), 7.22 (dd, J=6.5, 4.6 Hz, 2H), 7.14 (t, 2H), 6.71 (dd, 10.5 Hz, 1H), 5.99 (dd, 1H), 5.63-5.52 (m, 3H), 5.15 (t, 1H), 5.09 (s, 1H), 3.94 (d, 1H), 3.66 (d, 1H), 2.96 (t, 1H), 1.40-1.20 (m, 5H), 0.79 (t, 1H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US09073947B2 |
| Source dataset | uspto-grants-2015_07 |
| ORD ID | ord-c9c8120ae9b2462db859d1c7de9e04aa |
| Source note | uspto-grants-2015_07 |