HuagongsheHuagongshe Chemistry Print Report · For research reference only
Diethyl (4-{[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]amino}benzyl)phosphonate → HCID 178476872, compound
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | Diethyl (4-{[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]amino}benzyl)phosphonate | HCID 86654003 | — |
| Reactant | HCID 178468154 | HCID 178468154 | — |
| Product | HCID 178476872 | HCID 178476872 | — |
Reaction Steps
The title product was prepared according to the procedure for Example 102 using diethyl (4-{[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]amino}benzyl)phosphonate (40.0 mg, 0.0944 mmol) and 7-amino-4-(trans-4-ethoxycyclohexyl)-2-methyl-2,3-dihydro-1H-isoindol-1-one (Compound 166B). 1H NMR (DMSO-d6, 400 MHz): δ=1.11 (t, J=6.95 Hz, 3 H), 1.18 (t, J=6.95 Hz, 6 H), 1.21-1.33 (m, 2 H), 1.54-1.68 (m, 2 H), 1.80 (d, J=12.63 Hz, 2 H), 2.09 (dd, J=12.63, 3.28 Hz, 2 H), 3.08 (s, 3 H), 3.18-3.27 (m, 2 H), 3.49 (q, J=6.99 Hz, 2 H), 3.91-4.01 (m, 4 H), 4.52 (s, 2 H), 7.26 (dd, J=8.72, 1.89 Hz, 2 H), 7.40 (d, J=8.59 Hz, 1 H), 7.56 (br. s., 2H), 8.45 (s, 1 H), 8.67 (s, 1 H), 9.89 (s, 1 H), 10.58 (br. s., 1 H). MS (ES+): m/z 676.25 [MH+] (TOF, polar).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US09096624B2 |
| Source dataset | uspto-grants-2015_08 |
| ORD ID | ord-429835b3594a40b783d14cda082965b2 |
| Source note | uspto-grants-2015_08 |