HuagongsheHuagongshe Chemistry Print Report · For research reference only
Chlorine → HCID 178509501, compound
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | Chlorine | HCID 24526 | — |
| Reactant | 3,3-Difluoroazetidine | HCID 2758248 | — |
| Reactant | HCID 178496593 | HCID 178496593 | — |
| Solvent | HCID 67059519 | HCID 67059519 | — |
| Product | HCID 178509501 | HCID 178509501 | — |
Reaction Steps
Synthesized from 3-(6-chloro-9-(trans-4-methoxycyclohexyl)-8-oxo-8,9-dihydro-7H-purin-2-yl)-3H-benzo[d]imidazole-5-carbonitrile by demethylation, followed by displacement of chlorine in the 6-chloropurinone with 3,3-difluoroazetidine. 1HNMR (300 MHz, CDCl3+CD3OD) δ, ppm: 9.12 (s, 1H), 8.92 (s, 1H), 7.90 (d, 1H), 7.64 (dd, 1H), 4.71 (t, 4H), 4.46-4.32 (m, 1H), 3.98-3.83 (m, 1H), 2.64-2.46 (m, 2H), 2.24-2.15 (m, 2H), 1.97-1.87 (m, 2H), 1.62-1.46 (m, 2H); MS (EI) m/z 467.0 (MH)+.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US07902187B2 |
| Source dataset | uspto-grants-2011_03 |
| ORD ID | ord-0f404b33359e4715924d09f41bb54ca3 |
| Source note | uspto-grants-2011_03 |